lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): O=C1C[C@@H](C(=O)N[C@@H](CCCCCS)C(=O)Nc2ccccc2)N1
InChIKey: LZODJSNRNSCPJV-KBPBESRZSA-N
Target: Histone deacetylase 11 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96DB2
Assay: Inhibition of HDAC11 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 349.46, ALogP 1.49, HBA 4, HBD 4, PSA 87.3, QED 0.31
Compound (SMILES): O=C(CCCCCCS)NC1CCCC1
InChIKey: GXOOMZQLPATTMH-UHFFFAOYSA-N
Target: Histone deacetylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92769
Assay: Inhibition of HDAC2 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay
Measurement: IC50 = 6640 nM (pChEMBL 5.179999828338623)
Descriptors: MW 229.39, ALogP 2.93, HBA 2, HBD 2, PSA 29.1, QED 0.51
Compound (SMILES): O=C1CCC[C@@H](C(=O)N[C@@H](CCCCCS)C(=O)NC2CCCC2)N1
InChIKey: QOXLRWMTGBTFSF-GJZGRUSLSA-N
Target: Histone deacetylase 11 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96DB2
Assay: Inhibition of HDAC11 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay
Measurement: IC50 = 89 nM (pChEMBL 7.050000190734863)
Descriptors: MW 369.53, ALogP 1.69, HBA 4, HBD 4, PSA 87.3, QED 0.37
Compound (SMILES): O=C(CCCCCCS)NCc1ccc(C(F)(F)F)cc1
InChIKey: USHSMQJPFGHNIF-UHFFFAOYSA-N
Target: Histone deacetylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92769
Assay: Inhibition of HDAC2 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay
Measurement: IC50 = 19400 nM (pChEMBL 4.710000038146973)
Descriptors: MW 319.39, ALogP 4.2, HBA 2, HBD 2, PSA 29.1, QED 0.55
Compound (SMILES): O=C1CCC[C@@H](C(=O)N[C@@H](CCCCCS)C(=O)NCc2ccc(C(F)(F)F)cc2)N1
InChIKey: QVHKENDYYOPWET-IRXDYDNUSA-N
Target: Histone deacetylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92769
Assay: Inhibition of HDAC2 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay
Measurement: IC50 = 1770 nM (pChEMBL 5.75)
Descriptors: MW 459.53, ALogP 2.97, HBA 4, HBD 4, PSA 87.3, QED 0.32
Compound (SMILES): O=C(CCCCCCS)NCc1cccc(OCc2ccccc2)c1
InChIKey: IUGCCYATPOSLED-UHFFFAOYSA-N
Target: Histone deacetylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92769
Assay: Inhibition of HDAC2 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay
Measurement: IC50 = 14000 nM (pChEMBL 4.849999904632568)
Descriptors: MW 357.52, ALogP 4.76, HBA 3, HBD 2, PSA 38.33, QED 0.45
Compound (SMILES): O=C1CCC[C@@H](C(=O)N[C@@H](CCCCCS)C(=O)NCc2cccc(OCc3ccccc3)c2)N1
InChIKey: NEGLYSNZRMUEHF-ZEQRLZLVSA-N
Target: Histone deacetylase 11 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96DB2
Assay: Inhibition of HDAC11 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay
Measurement: IC50 = 293 nM (pChEMBL 6.53000020980835)
Descriptors: MW 497.66, ALogP 3.53, HBA 5, HBD 4, PSA 96.53, QED 0.25
Compound (SMILES): Cc1cccc(CCNC(=O)CCCCCCS)c1
InChIKey: SWLGNYUDHVEWKG-UHFFFAOYSA-N
Target: Polyamine deacetylase HDAC10 (SINGLE PROTEIN), Homo sapiens
UniProt: Q969S8
Assay: Inhibition of HDAC10 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay
Measurement: IC50 = 3930 nM (pChEMBL 5.409999847412109)
Descriptors: MW 279.45, ALogP 3.53, HBA 2, HBD 2, PSA 29.1, QED 0.53
Compound (SMILES): Cc1cccc(CCNC(=O)[C@H](CCCCCS)NC(=O)[C@@H]2CCCC(=O)N2)c1
InChIKey: QNJCPEYHBKCISJ-OALUTQOASA-N
Target: Histone deacetylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92769
Assay: Inhibition of HDAC2 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay
Measurement: IC50 = 601 nM (pChEMBL 6.21999979019165)
Descriptors: MW 419.59, ALogP 2.3, HBA 4, HBD 4, PSA 87.3, QED 0.33
Compound (SMILES): O=C(CCCCCCS)N1CCc2ccccc2C1
InChIKey: JQHRRHBTUSQHKG-UHFFFAOYSA-N
Target: Histone deacetylase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: O15379
Assay: Inhibition of HDAC3 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay
Measurement: IC50 = 35800 nM (pChEMBL 4.449999809265137)
Descriptors: MW 277.43, ALogP 3.45, HBA 2, HBD 1, PSA 20.31, QED 0.62
Compound (SMILES): O=C1CCC[C@@H](C(=O)N[C@@H](CCCCCS)C(=O)N2CCc3ccccc3C2)N1
InChIKey: ACYSJVQNEBVOLM-OALUTQOASA-N
Target: Polyamine deacetylase HDAC10 (SINGLE PROTEIN), Homo sapiens
UniProt: Q969S8
Assay: Inhibition of HDAC10 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay
Measurement: IC50 = 6000 nM (pChEMBL 5.21999979019165)
Descriptors: MW 417.58, ALogP 2.21, HBA 4, HBD 3, PSA 78.51, QED 0.45
Compound (SMILES): COc1ccc2nc3c(c(NCCCNC4=C(Cl)C(=O)c5ccccc5C4=O)c2c1)CCCC3
InChIKey: IWUDCTOFAHCCJE-UHFFFAOYSA-N
Target: Cholinesterase (SINGLE PROTEIN), Homo sapiens
UniProt: P06276
Assay: Inhibition of human plasmatic BChE after 5 mins by Ellman method
Measurement: IC50 = 742 nM (pChEMBL 6.130000114440918)
Descriptors: MW 475.98, ALogP 5.04, HBA 6, HBD 2, PSA 80.32, QED 0.47
Compound (SMILES): O=C1C(Cl)=C(NCCNc2c3c(nc4cc(Cl)ccc24)CCCC3)C(=O)c2ccccc21
InChIKey: RQRGYKWAWXKBKX-UHFFFAOYSA-N
Target: Cholinesterase (SINGLE PROTEIN), Homo sapiens
UniProt: P06276
Assay: Inhibition of human plasmatic BChE after 5 mins by Ellman method
Measurement: IC50 = 287 nM (pChEMBL 6.539999961853027)
Descriptors: MW 466.37, ALogP 5.3, HBA 5, HBD 2, PSA 71.09, QED 0.5
Compound (SMILES): O=C1C(Cl)=C(NCCCNc2c3c(nc4cc(Cl)ccc24)CCCC3)C(=O)c2ccccc21
InChIKey: YIHUNKHKTCXRQL-UHFFFAOYSA-N
Target: Cholinesterase (SINGLE PROTEIN), Homo sapiens
UniProt: P06276
Assay: Inhibition of human plasmatic BChE after 5 mins by Ellman method
Measurement: IC50 = 234 nM (pChEMBL 6.630000114440918)
Descriptors: MW 480.4, ALogP 5.69, HBA 5, HBD 2, PSA 71.09, QED 0.44
Compound (SMILES): O=C1C(Cl)=C(NCCNc2c3c(nc4ccccc24)CCCC3)C(=O)c2ccccc21
InChIKey: FXNPZCDRGIBCKM-UHFFFAOYSA-N
Target: Cholinesterase (SINGLE PROTEIN), Homo sapiens
UniProt: P06276
Assay: Inhibition of human plasmatic BChE after 5 mins by Ellman method
Measurement: IC50 = 96.1 nM (pChEMBL 7.019999980926514)
Descriptors: MW 431.92, ALogP 4.64, HBA 5, HBD 2, PSA 71.09, QED 0.58
Compound (SMILES): O=C1C(Cl)=C(NCCCNc2c3c(nc4ccccc24)CCCC3)C(=O)c2ccccc21
InChIKey: UFGSUGXQTOJRGK-UHFFFAOYSA-N
Target: Cholinesterase (SINGLE PROTEIN), Homo sapiens
UniProt: P06276
Assay: Inhibition of human plasmatic BChE after 5 mins by Ellman method
Measurement: IC50 = 47.8 nM (pChEMBL 7.320000171661377)
Descriptors: MW 445.95, ALogP 5.03, HBA 5, HBD 2, PSA 71.09, QED 0.52
Compound (SMILES): O=C(N1CCN(C(c2ccccc2)c2ccccc2)CC1)n1cncn1
InChIKey: DAHGNJMKRWHRFF-UHFFFAOYSA-N
Target: Monoglyceride lipase (SINGLE PROTEIN), Mus musculus
UniProt: O35678
Assay: Inhibition of mouse MAGL
Measurement: IC50 = 0.309 nM (pChEMBL 9.510000228881836)
Descriptors: MW 347.42, ALogP 2.65, HBA 5, HBD 0, PSA 54.26, QED 0.73
Compound (SMILES): O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIKey: PVDHFGSVZJMTCK-UHFFFAOYSA-N
Target: Monoglyceride lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q99685
Assay: Inhibition of human recombinant MAGL expressed in HEK293 cells using 2-AG as substrate
Measurement: IC50 = 257 nM (pChEMBL 6.590000152587891)
Descriptors: MW 417.47, ALogP 4.5, HBA 5, HBD 0, PSA 75.92, QED 0.45
Compound (SMILES): O=C(N1CCN(C(c2ccccc2)c2ccccc2)CC1)n1nnc2cccnc21
InChIKey: XYDGGRXBTZATHJ-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00519
Assay: Inhibition of human recombinant FAAH expressed in COS7 cells using anandamide as substrate
Measurement: IC50 = 977.24 nM (pChEMBL 6.010000228881836)
Descriptors: MW 398.47, ALogP 3.2, HBA 6, HBD 0, PSA 67.15, QED 0.53
Compound (SMILES): O=C(N1CCN(C(c2ccccc2)c2ccccc2)CC1)n1ccnc1
InChIKey: PTKAINQTOAZJAM-UHFFFAOYSA-N
Target: Monoglyceride lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q99685
Assay: Inhibition of human recombinant MAGL expressed in HEK293 cells using 2-AG as substrate assessed as remaining activity at 10 uM
Measurement: IC50 = 0.7 nM (pChEMBL 9.149999618530273)
Descriptors: MW 346.43, ALogP 3.26, HBA 4, HBD 0, PSA 41.37, QED 0.73
Compound (SMILES): O=C(N1CCN(c2ccccc2)CC1)n1nnc2cccnc21
InChIKey: GCZOSXRTJIOCIC-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00519
Assay: Inhibition of human recombinant FAAH expressed in COS7 cells using anandamide as substrate
Measurement: IC50 = 11.22 nM (pChEMBL 7.949999809265137)
Descriptors: MW 308.35, ALogP 1.62, HBA 6, HBD 0, PSA 67.15, QED 0.68
Compound (SMILES): O=C(N1CCN(c2ccccc2)CC1)n1cncn1
InChIKey: QJNXPTCCLVHSKB-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00519
Assay: Inhibition of human recombinant FAAH expressed in COS7 cells using anandamide as substrate
Measurement: IC50 = 6.026 nM (pChEMBL 8.220000267028809)
Descriptors: MW 257.3, ALogP 1.07, HBA 5, HBD 0, PSA 54.26, QED 0.77
Compound (SMILES): CCOC(=O)N1CCN(C(=O)n2nnc3cccnc32)CC1
InChIKey: VQTGYFFKDTXEAC-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00519
Assay: Inhibition of human recombinant FAAH expressed in COS7 cells using anandamide as substrate
Measurement: IC50 = 229.09 nM (pChEMBL 6.639999866485596)
Descriptors: MW 304.31, ALogP 0.57, HBA 7, HBD 0, PSA 93.45, QED 0.76
Compound (SMILES): CCOC(=O)N1CCN(C(=O)n2cncn2)CC1
InChIKey: XDXDRBGQIZGZPJ-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00519
Assay: Inhibition of human recombinant FAAH expressed in COS7 cells using anandamide as substrate
Measurement: IC50 = 141.25 nM (pChEMBL 6.849999904632568)
Descriptors: MW 253.26, ALogP 0.02, HBA 6, HBD 0, PSA 80.56, QED 0.7
Compound (SMILES): O=C(N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)n1cncn1
InChIKey: HPBUDCFJCZABOH-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00519
Assay: Inhibition of human recombinant FAAH expressed in COS7 cells using anandamide as substrate
Measurement: IC50 = 2.692 nM (pChEMBL 8.569999694824219)
Descriptors: MW 363.42, ALogP 2.86, HBA 6, HBD 0, PSA 63.49, QED 0.71
Compound (SMILES): O=C(N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)n1nnc2ccccc21
InChIKey: JUHJGIJJCBPJTA-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00519
Assay: Inhibition of human recombinant FAAH expressed in COS7 cells using anandamide as substrate
Measurement: IC50 = 89.13 nM (pChEMBL 7.050000190734863)
Descriptors: MW 413.48, ALogP 4.01, HBA 6, HBD 0, PSA 63.49, QED 0.51
Compound (SMILES): O=C(N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)n1nnc2cccnc21
InChIKey: KHOGJXAUCIGCTM-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00519
Assay: Inhibition of human recombinant FAAH expressed in COS7 cells using anandamide as substrate
Measurement: IC50 = 22.91 nM (pChEMBL 7.639999866485596)
Descriptors: MW 414.47, ALogP 3.4, HBA 7, HBD 0, PSA 76.38, QED 0.51
Compound (SMILES): O=C(OC(C(F)(F)F)C(F)(F)F)N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1
InChIKey: AVSCNEOUWSVZEY-UHFFFAOYSA-N
Target: Monoglyceride lipase (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q8R431
Assay: Inhibition of rat MAGL preincubated for 30 mins followed by FP-Rh addition after 30 mins by gel-based ABPP assay
Measurement: IC50 = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 462.39, ALogP 5.23, HBA 4, HBD 0, PSA 42.01, QED 0.57
Compound (SMILES): O=C(N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)n1ccnc1
InChIKey: LUVFYELCNQAENZ-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00519
Assay: Inhibition of human recombinant FAAH expressed in COS7 cells using anandamide as substrate
Measurement: IC50 = 15.49 nM (pChEMBL 7.809999942779541)
Descriptors: MW 362.43, ALogP 3.46, HBA 5, HBD 0, PSA 50.6, QED 0.71
Compound (SMILES): O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1
InChIKey: YXMQGAUBOZOUHK-UHFFFAOYSA-N
Target: Monoglyceride lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q99685
Assay: Inhibition of human recombinant MAGL expressed in HEK293 cells using 2-AG as substrate
Measurement: IC50 = 1100 nM (pChEMBL 5.960000038146973)
Descriptors: MW 433.46, ALogP 4.7, HBA 6, HBD 0, PSA 85.15, QED 0.41
Compound (SMILES): O=C(N1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)n1nnc2ccccc21
InChIKey: FDUNIALFTNBMDG-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00519
Assay: Inhibition of human recombinant FAAH expressed in COS7 cells using anandamide as substrate
Measurement: IC50 = 707.95 nM (pChEMBL 6.150000095367432)
Descriptors: MW 413.48, ALogP 4.01, HBA 6, HBD 0, PSA 63.49, QED 0.51
Compound (SMILES): O=C(N1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)n1ccnc1
InChIKey: BBLXIBKDDPPJBC-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00519
Assay: Inhibition of human recombinant FAAH expressed in COS7 cells using anandamide as substrate
Measurement: IC50 = 17.38 nM (pChEMBL 7.760000228881836)
Descriptors: MW 362.43, ALogP 3.46, HBA 5, HBD 0, PSA 50.6, QED 0.71
Compound (SMILES): O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(C(c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)CC1
InChIKey: DHQBITYMJGNMLN-UHFFFAOYSA-N
Target: Monoglyceride lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q99685
Assay: Inhibition of human recombinant MAGL expressed in HEK293 cells using 2-AG as substrate
Measurement: IC50 = 42 nM (pChEMBL 7.380000114440918)
Descriptors: MW 504.5, ALogP 5.1, HBA 8, HBD 0, PSA 109.6, QED 0.35
Compound (SMILES): O=C(N1CCC(C(O)(c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)CC1)n1cncn1
InChIKey: LFNGSASLEZZGTL-UHFFFAOYSA-N
Target: Fatty-acid amide hydrolase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00519
Assay: Inhibition of human recombinant FAAH expressed in COS7 cells using anandamide as substrate
Measurement: IC50 = 1621.81 nM (pChEMBL 5.789999961853027)
Descriptors: MW 450.45, ALogP 2.35, HBA 9, HBD 1, PSA 108.17, QED 0.65
Compound (SMILES): CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3c(CO)ccnc32)CC1
InChIKey: BCKYTUFUNAGTDV-UHFFFAOYSA-N
Target: Histamine H1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35367
Assay: Binding affinity to human H1 histamine receptor expressed in CHO cells after 1 hr by calcium 5 dye-based FLIPR assay
Measurement: Kd = 199 nM (pChEMBL 6.699999809265137)
Descriptors: MW 412.92, ALogP 4.38, HBA 4, HBD 1, PSA 62.66, QED 0.79
Compound (SMILES): CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cc(O)cnc32)CC1
InChIKey: KCVVQHZYLIQAEG-UHFFFAOYSA-N
Target: Sodium-dependent neutral amino acid transporter B(0)AT2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H2J7
Assay: Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within 10 mins by [3H]proline uptake assay
Measurement: IC50 = 17600 nM (pChEMBL 4.75)
Descriptors: MW 398.89, ALogP 4.59, HBA 4, HBD 1, PSA 62.66, QED 0.76
Compound (SMILES): CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cc(OC)cnc32)CC1
InChIKey: XIUQXOBEGLVYPC-UHFFFAOYSA-N
Target: Sodium-dependent neutral amino acid transporter B(0)AT2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H2J7
Assay: Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within 10 mins by [3H]proline uptake assay
Measurement: IC50 = 4500 nM (pChEMBL 5.349999904632568)
Descriptors: MW 412.92, ALogP 4.9, HBA 4, HBD 0, PSA 51.66, QED 0.7
Compound (SMILES): CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3ccc(C(=O)OC)nc32)CC1
InChIKey: QCAINJLOQVFTKT-UHFFFAOYSA-N
Target: Sodium-dependent neutral amino acid transporter B(0)AT2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H2J7
Assay: Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within 10 mins by [3H]proline uptake assay
Measurement: IC50 = 12400 nM (pChEMBL 4.909999847412109)
Descriptors: MW 440.93, ALogP 4.67, HBA 5, HBD 0, PSA 68.73, QED 0.63
Compound (SMILES): CC(C)COC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1
InChIKey: AMBATUWSQRROKC-UHFFFAOYSA-N
Target: Sodium-dependent neutral amino acid transporter B(0)AT2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H2J7
Assay: Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within 10 mins by [3H]proline uptake assay
Measurement: IC50 = 7800 nM (pChEMBL 5.110000133514404)
Descriptors: MW 410.95, ALogP 5.52, HBA 3, HBD 0, PSA 42.43, QED 0.65
Compound (SMILES): C/C=C/C(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1
InChIKey: MOFVGVFZWIHAPO-DUXPYHPUSA-N
Target: Histamine H1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35367
Assay: Displacement of [3H]mepyramine from human histamine H1 receptor expressed in Sf9 cells by scintillation counting method
Measurement: Ki = 153 nM (pChEMBL 6.820000171661377)
Descriptors: MW 378.9, ALogP 4.83, HBA 2, HBD 0, PSA 33.2, QED 0.67
Compound (SMILES): CC(C)CC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1
InChIKey: CLTMMUQENFHOIL-UHFFFAOYSA-N
Target: Histamine H1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35367
Assay: Displacement of [3H]mepyramine from human histamine H1 receptor expressed in Sf9 cells by scintillation counting method
Measurement: Ki = 289 nM (pChEMBL 6.539999961853027)
Descriptors: MW 394.95, ALogP 5.3, HBA 2, HBD 0, PSA 33.2, QED 0.69
Compound (SMILES): CCCCC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1
InChIKey: XSNLDSYJHLYUGZ-UHFFFAOYSA-N
Target: Histamine H1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35367
Assay: Displacement of [3H]mepyramine from human histamine H1 receptor expressed in Sf9 cells by scintillation counting method
Measurement: Ki = 147 nM (pChEMBL 6.829999923706055)
Descriptors: MW 394.95, ALogP 5.45, HBA 2, HBD 0, PSA 33.2, QED 0.69
Compound (SMILES): O=C(CC1CCCCC1)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1
InChIKey: YSJZQHPNURRVLN-UHFFFAOYSA-N
Target: Histamine H1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35367
Assay: Displacement of [3H]mepyramine from human histamine H1 receptor expressed in Sf9 cells by scintillation counting method
Measurement: Ki = 441 nM (pChEMBL 6.360000133514404)
Descriptors: MW 435.01, ALogP 6.23, HBA 2, HBD 0, PSA 33.2, QED 0.56
Compound (SMILES): CC(C)C[C@@H](N)C(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1
InChIKey: DUCSQMQJPSZEAW-JOCHJYFZSA-N
Target: Histamine H1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35367
Assay: Displacement of [3H]mepyramine from human histamine H1 receptor expressed in Sf9 cells by scintillation counting method
Measurement: Ki = 4647 nM (pChEMBL 5.329999923706055)
Descriptors: MW 423.99, ALogP 4.63, HBA 3, HBD 1, PSA 59.22, QED 0.78
Compound (SMILES): OCCN1CCN(c2ccc(-c3ncc4c(n3)N(CCCN3CCOCC3)CC4)cc2)CC1
InChIKey: VQQGQCSLCPMKAG-UHFFFAOYSA-N
Target: Toll-like receptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NYK1
Assay: Antagonist activity at human TLR7 transfected in HEK293 cells assessed as hydrolysis of pNPP after 24 hrs by SEAP reporter assay
Measurement: IC50 > 970 nM (pChEMBL 6.013000011444092)
Descriptors: MW 452.6, ALogP 1.34, HBA 8, HBD 1, PSA 68.2, QED 0.64
Compound (SMILES): O=C1OCC(c2ccccc2F)=C1c1ccccc1
InChIKey: NYONAMSBEXPSAD-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 1 (SINGLE PROTEIN), Ovis aries
UniProt: P05979
Assay: Inhibition of ovine COX-1 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 254.26, ALogP 3.29, HBA 2, HBD 0, PSA 26.3, QED 0.77
Compound (SMILES): O=C1OCC(c2cccc(F)c2)=C1c1ccccc1
InChIKey: HXWIXQANCWMXHJ-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 1 (SINGLE PROTEIN), Ovis aries
UniProt: P05979
Assay: Inhibition of ovine COX-1 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 254.26, ALogP 3.29, HBA 2, HBD 0, PSA 26.3, QED 0.77
Compound (SMILES): O=C1OCC(c2ccc(F)cc2)=C1c1ccccc1
InChIKey: IRDHYTJELMYUOR-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 1 (SINGLE PROTEIN), Ovis aries
UniProt: P05979
Assay: Inhibition of ovine COX-1 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 254.26, ALogP 3.29, HBA 2, HBD 0, PSA 26.3, QED 0.77
Compound (SMILES): Cc1ccc(C2=C(c3ccccc3F)COC2=O)cc1
InChIKey: SPCUGFPEWKOUTE-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Mus musculus
UniProt: Q05769
Assay: Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 268.29, ALogP 3.6, HBA 2, HBD 0, PSA 26.3, QED 0.78
Compound (SMILES): Cc1ccc(C2=C(c3cccc(F)c3)COC2=O)cc1
InChIKey: XDSHIXYWYVKNFC-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Mus musculus
UniProt: Q05769
Assay: Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 268.29, ALogP 3.6, HBA 2, HBD 0, PSA 26.3, QED 0.78
Compound (SMILES): Cc1ccc(C2=C(c3ccc(F)cc3)COC2=O)cc1
InChIKey: MJSKFULEJGWAEY-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Mus musculus
UniProt: Q05769
Assay: Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 268.29, ALogP 3.6, HBA 2, HBD 0, PSA 26.3, QED 0.78
Compound (SMILES): O=C1OCC(c2ccccc2F)=C1c1ccc(CO)cc1
InChIKey: NUGRRHOOKSYTNQ-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Mus musculus
UniProt: Q05769
Assay: Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 284.29, ALogP 2.79, HBA 3, HBD 1, PSA 46.53, QED 0.88
Compound (SMILES): O=C1OCC(c2ccc(F)cc2)=C1c1ccc(CO)cc1
InChIKey: DAYPRILKPNLKNA-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Mus musculus
UniProt: Q05769
Assay: Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 284.29, ALogP 2.79, HBA 3, HBD 1, PSA 46.53, QED 0.88
Compound (SMILES): O=C1OCC(c2ccc(F)cc2)=C1c1ccc(O)cc1
InChIKey: KEJNVJCIWNMMDW-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Mus musculus
UniProt: Q05769
Assay: Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 270.26, ALogP 3, HBA 3, HBD 1, PSA 46.53, QED 0.85
Compound (SMILES): CN(C)c1ccc(C2=C(c3ccccc3F)COC2=O)cc1
InChIKey: MXLKAVPCLLIMTM-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Mus musculus
UniProt: Q05769
Assay: Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 297.33, ALogP 3.36, HBA 3, HBD 0, PSA 29.54, QED 0.81
Compound (SMILES): CN(C)c1ccc(C2=C(c3ccc(F)cc3)COC2=O)cc1
InChIKey: ZXUGXZQIRPJHEJ-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Mus musculus
UniProt: Q05769
Assay: Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 297.33, ALogP 3.36, HBA 3, HBD 0, PSA 29.54, QED 0.81
Compound (SMILES): O=C1OCC(c2ccccc2F)=C1c1ccc(Br)cc1
InChIKey: MBVAKSXIPSQAGT-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Mus musculus
UniProt: Q05769
Assay: Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 333.16, ALogP 4.06, HBA 2, HBD 0, PSA 26.3, QED 0.78
Compound (SMILES): O=C1OCC(c2ccc(F)cc2)=C1c1ccc(Br)cc1
InChIKey: RDZBTORJMNBSPX-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Mus musculus
UniProt: Q05769
Assay: Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 333.16, ALogP 4.06, HBA 2, HBD 0, PSA 26.3, QED 0.78
Compound (SMILES): O=C1OCC(c2ccccc2F)=C1c1ccc(Cl)cc1
InChIKey: JEDSQTCWGAVCKK-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Mus musculus
UniProt: Q05769
Assay: Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 288.7, ALogP 3.95, HBA 2, HBD 0, PSA 26.3, QED 0.78
Compound (SMILES): O=C1OCC(c2ccc(F)cc2)=C1c1ccc(Cl)cc1
InChIKey: KKSUAAMCMIUPIV-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Mus musculus
UniProt: Q05769
Assay: Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 288.7, ALogP 3.95, HBA 2, HBD 0, PSA 26.3, QED 0.78
Compound (SMILES): O=C1OCC(c2ccccc2)=C1c1ccccc1F
InChIKey: ZIRMKZNJLNPFQC-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Mus musculus
UniProt: Q05769
Assay: Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 254.26, ALogP 3.29, HBA 2, HBD 0, PSA 26.3, QED 0.77
Compound (SMILES): O=C1OCC(c2ccccc2)=C1c1cccc(F)c1
InChIKey: WPQWVFGEAVGUPW-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Mus musculus
UniProt: Q05769
Assay: Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 254.26, ALogP 3.29, HBA 2, HBD 0, PSA 26.3, QED 0.77
Compound (SMILES): O=C1OCC(c2ccccc2)=C1c1ccc(F)cc1
InChIKey: VKGMHNWSONUQEC-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Mus musculus
UniProt: Q05769
Assay: Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 254.26, ALogP 3.29, HBA 2, HBD 0, PSA 26.3, QED 0.77
Compound (SMILES): O=C1OCC(c2ccccc2)=C1c1ccc(Oc2ccc(F)cc2)cc1
InChIKey: YNCAVGKALDNUFL-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Mus musculus
UniProt: Q05769
Assay: Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 346.36, ALogP 5.09, HBA 3, HBD 0, PSA 35.53, QED 0.62
Compound (SMILES): Cc1ccc(C2=C(c3ccccc3F)C(=O)OC2)cc1
InChIKey: ZPVCJEYMVDHJAU-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Mus musculus
UniProt: Q05769
Assay: Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 268.29, ALogP 3.6, HBA 2, HBD 0, PSA 26.3, QED 0.78
Compound (SMILES): Cc1ccc(C2=C(c3cccc(F)c3)C(=O)OC2)cc1
InChIKey: CUMNFYZPSUCGBW-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Mus musculus
UniProt: Q05769
Assay: Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 268.29, ALogP 3.6, HBA 2, HBD 0, PSA 26.3, QED 0.78
Compound (SMILES): Cc1ccc(C2=C(c3ccc(F)cc3)C(=O)OC2)cc1
InChIKey: LRHPSVOQMSTNBT-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Mus musculus
UniProt: Q05769
Assay: Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 268.29, ALogP 3.6, HBA 2, HBD 0, PSA 26.3, QED 0.78
Compound (SMILES): Cc1ccc(C2=C(c3ccc(Oc4ccc(F)cc4)cc3)C(=O)OC2)cc1
InChIKey: DDWQAPXHHQHCNF-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Mus musculus
UniProt: Q05769
Assay: Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 360.38, ALogP 5.39, HBA 3, HBD 0, PSA 35.53, QED 0.58
Compound (SMILES): COc1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1
InChIKey: TVDQYUXHVNFJPQ-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Mus musculus
UniProt: Q05769
Assay: Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 266.3, ALogP 3.16, HBA 3, HBD 0, PSA 35.53, QED 0.8
Compound (SMILES): COc1ccc(C2=C(c3ccccc3F)C(=O)OC2)cc1
InChIKey: QWNGVSGOXKDPCB-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Mus musculus
UniProt: Q05769
Assay: Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 284.29, ALogP 3.3, HBA 3, HBD 0, PSA 35.53, QED 0.81
Compound (SMILES): COc1ccc(C2=C(c3cccc(F)c3)C(=O)OC2)cc1
InChIKey: XLLSSYMPYWALGH-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Mus musculus
UniProt: Q05769
Assay: Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 284.29, ALogP 3.3, HBA 3, HBD 0, PSA 35.53, QED 0.81
Compound (SMILES): COc1ccc(C2=C(c3ccc(F)cc3)C(=O)OC2)cc1
InChIKey: QHSXAZUUIJIURJ-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Mus musculus
UniProt: Q05769
Assay: Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 284.29, ALogP 3.3, HBA 3, HBD 0, PSA 35.53, QED 0.81
Compound (SMILES): COc1ccc(C2=C(c3ccc(Br)cc3)C(=O)OC2)cc1
InChIKey: DNEOHVHUTMBXIP-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Mus musculus
UniProt: Q05769
Assay: Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 = 450 nM (pChEMBL 6.349999904632568)
Descriptors: MW 345.19, ALogP 3.93, HBA 3, HBD 0, PSA 35.53, QED 0.79
Compound (SMILES): COc1ccc(C2=C(c3ccc(I)cc3)C(=O)OC2)cc1
InChIKey: VQLAVOCHHHUBHG-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Mus musculus
UniProt: Q05769
Assay: Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 392.19, ALogP 3.77, HBA 3, HBD 0, PSA 35.53, QED 0.59
Compound (SMILES): COc1ccc(C2=C(c3ccc(Oc4ccc(F)cc4)cc3)C(=O)OC2)cc1
InChIKey: ZDFPEVWDYWWGOS-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Mus musculus
UniProt: Q05769
Assay: Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 376.38, ALogP 5.09, HBA 4, HBD 0, PSA 44.76, QED 0.58
Compound (SMILES): COc1ccc(C2=C(c3cccc(Cl)c3F)C(=O)OC2)cc1
InChIKey: BGVJMWUSKQYXIA-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Mus musculus
UniProt: Q05769
Assay: Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 318.73, ALogP 3.96, HBA 3, HBD 0, PSA 35.53, QED 0.8
Compound (SMILES): O=C1OCC(c2ccc(C(F)(F)F)cc2)=C1c1cccc(F)c1
InChIKey: PTOIWYLDEVCKGJ-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Mus musculus
UniProt: Q05769
Assay: Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 322.26, ALogP 4.31, HBA 2, HBD 0, PSA 26.3, QED 0.61
Compound (SMILES): O=C1OCC(c2ccc(OC(F)(F)F)cc2)=C1c1cccc(F)c1
InChIKey: AIQYTCNPUSPEIH-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Mus musculus
UniProt: Q05769
Assay: Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 338.26, ALogP 4.19, HBA 3, HBD 0, PSA 35.53, QED 0.62
Compound (SMILES): N#Cc1ccc(C2=C(c3cccc(F)c3)C(=O)OC2)cc1
InChIKey: VQQRLLOCRFEYLF-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Mus musculus
UniProt: Q05769
Assay: Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 279.27, ALogP 3.16, HBA 3, HBD 0, PSA 50.09, QED 0.79
Compound (SMILES): CSc1ccc(C2=C(c3ccc(F)cc3)C(=O)OC2)cc1
InChIKey: JBUAEZVHFCPBNJ-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Mus musculus
UniProt: Q05769
Assay: Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 300.35, ALogP 4.02, HBA 3, HBD 0, PSA 26.3, QED 0.63
Compound (SMILES): CCc1ccc(C2=C(c3cccc(F)c3)C(=O)OC2)cc1
InChIKey: BAOIOVGYDQIHQK-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Mus musculus
UniProt: Q05769
Assay: Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 282.31, ALogP 3.86, HBA 2, HBD 0, PSA 26.3, QED 0.8
Compound (SMILES): O=C1OCC(c2ccc(O)cc2)=C1c1cccc(F)c1
InChIKey: ICMDLBBCAGMTKY-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Mus musculus
UniProt: Q05769
Assay: Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 270.26, ALogP 3, HBA 3, HBD 1, PSA 46.53, QED 0.85
Compound (SMILES): COc1ccc(C2=C(c3cccc(C(F)(F)F)c3)C(=O)OC2)cc1
InChIKey: ICVVJTRTEBZHEH-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Mus musculus
UniProt: Q05769
Assay: Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 334.29, ALogP 4.18, HBA 3, HBD 0, PSA 35.53, QED 0.79
Compound (SMILES): COc1ccc(C2=C(c3ccc(C(F)(F)F)cc3)C(=O)OC2)cc1
InChIKey: SEHNHZCXMBDFMD-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Mus musculus
UniProt: Q05769
Assay: Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 334.29, ALogP 4.18, HBA 3, HBD 0, PSA 35.53, QED 0.79
Compound (SMILES): COc1ccc(C2=C(c3ccnc(F)c3)C(=O)OC2)cc1
InChIKey: FPEOFNYIWFOPSJ-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Mus musculus
UniProt: Q05769
Assay: Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 285.27, ALogP 2.7, HBA 4, HBD 0, PSA 48.42, QED 0.64
Compound (SMILES): COc1ccc(C2=C(c3ccnc(Cl)c3)C(=O)OC2)cc1
InChIKey: HYCMXZVRMQTYLF-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Mus musculus
UniProt: Q05769
Assay: Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 301.73, ALogP 3.21, HBA 4, HBD 0, PSA 48.42, QED 0.65
Compound (SMILES): O=C1OCC(c2ccc(Cl)cc2)=C1c1ccnc(Cl)c1
InChIKey: MRJBPYNYPAKHLI-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Mus musculus
UniProt: Q05769
Assay: Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 306.15, ALogP 3.86, HBA 3, HBD 0, PSA 39.19, QED 0.62
Compound (SMILES): O=C1OCC(c2ccc(Cl)cc2)=C1c1ccnc(F)c1
InChIKey: LQRQNCMDMIJIQY-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Mus musculus
UniProt: Q05769
Assay: Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 289.69, ALogP 3.34, HBA 3, HBD 0, PSA 39.19, QED 0.63
Compound (SMILES): Cc1ccc(C2=C(c3ccnc(Cl)c3)C(=O)OC2)cc1
InChIKey: BHOLTWFTNDAFHJ-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Mus musculus
UniProt: Q05769
Assay: Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 285.73, ALogP 3.51, HBA 3, HBD 0, PSA 39.19, QED 0.63
Compound (SMILES): Cc1ccc(C2=C(c3ccnc(F)c3)C(=O)OC2)cc1
InChIKey: PXVTYXSWOMYZJE-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Mus musculus
UniProt: Q05769
Assay: Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 269.27, ALogP 3, HBA 3, HBD 0, PSA 39.19, QED 0.62
Compound (SMILES): N#Cc1ccc(C2=C(c3ccnc(F)c3)C(=O)OC2)cc1
InChIKey: ARDDSPYVKMSPTB-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Mus musculus
UniProt: Q05769
Assay: Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 280.26, ALogP 2.56, HBA 4, HBD 0, PSA 62.98, QED 0.63
Compound (SMILES): N#Cc1ccc(C2=C(c3ccnc(Cl)c3)C(=O)OC2)cc1
InChIKey: ZWQPGJREJPCNBR-UHFFFAOYSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Mus musculus
UniProt: Q05769
Assay: Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 296.71, ALogP 3.07, HBA 4, HBD 0, PSA 62.98, QED 0.63
Compound (SMILES): CC(C)(C)c1cc2cc[nH]c2cc1NC(=O)c1c[nH]c2ccccc2c1=O
InChIKey: QPRWKGNEIQULEK-UHFFFAOYSA-N
Target: Cystic fibrosis transmembrane conductance regulator (SINGLE PROTEIN), Homo sapiens
UniProt: P13569
Assay: Potentiation of human CFTR F508del mutant expressed in mouse NIH-3T3 cells after 30 mins by fluorescent voltage sensing optical assay
Measurement: EC50 = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 359.43, ALogP 4.56, HBA 2, HBD 3, PSA 77.75, QED 0.49
Compound (SMILES): CC(C)(C)c1ccc(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O
InChIKey: RGXDSPVREBKZMQ-UHFFFAOYSA-N
Target: Cystic fibrosis transmembrane conductance regulator (SINGLE PROTEIN), Homo sapiens
UniProt: P13569
Assay: Potentiation of human CFTR F508del/G551D mutant in human bronchial epithelial cells by Ussing chambers recording technique
Measurement: EC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 336.39, ALogP 3.78, HBA 3, HBD 3, PSA 82.19, QED 0.67
Compound (SMILES): CC(C)(C)c1cc(F)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O
InChIKey: JWBPGZVDKNUEHY-UHFFFAOYSA-N
Target: Cystic fibrosis transmembrane conductance regulator (SINGLE PROTEIN), Homo sapiens
UniProt: P13569
Assay: Potentiation of human CFTR F508del/G551D mutant in human bronchial epithelial cells by Ussing chambers recording technique
Measurement: EC50 = 45 nM (pChEMBL 7.349999904632568)
Descriptors: MW 354.38, ALogP 3.92, HBA 3, HBD 3, PSA 82.19, QED 0.65
Compound (SMILES): CC(C)(C)c1cc(C(F)(F)F)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O
InChIKey: ZAODJOCISUBYCU-UHFFFAOYSA-N
Target: Cystic fibrosis transmembrane conductance regulator (SINGLE PROTEIN), Homo sapiens
UniProt: P13569
Assay: Potentiation of human CFTR F508del mutant expressed in mouse NIH-3T3 cells after 30 mins by fluorescent voltage sensing optical assay
Measurement: EC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 404.39, ALogP 4.8, HBA 3, HBD 3, PSA 82.19, QED 0.57
Compound (SMILES): CCOc1ccc(S(=O)(=O)N(CC)CC)cc1-c1nnc2c(n1)c(C)nn2C
InChIKey: MCOABTLNFBDVFZ-UHFFFAOYSA-N
Target: Tyrosine-protein kinase ABL1 (SINGLE PROTEIN), Homo sapiens
UniProt: P00519
Assay: Inhibition of Abl (unknown origin) using GGEAIYAAPFKK peptide as substrate by [gamma-33P]ATP assay
Measurement: IC50 > 50000 nM (pChEMBL 4.301000118255615)
Descriptors: MW 404.5, ALogP 2.16, HBA 8, HBD 0, PSA 103.1, QED 0.59
Compound (SMILES): C=CC(=O)NC/C=C/c1cc(OC)cc(O)c1C(=O)OC(C)C
InChIKey: AISYLMZOSKYKIX-VOTSOKGWSA-N
Target: Receptor-type tyrosine-protein kinase FLT3 (SINGLE PROTEIN), Homo sapiens
UniProt: P36888
Assay: Inhibition of recombinant FLT3 D835Y mutant (unknown origin) by TR-FRET assay
Measurement: IC50 >= 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 319.36, ALogP 2.28, HBA 5, HBD 2, PSA 84.86, QED 0.59
Compound (SMILES): C=CC(=O)NC/C=C/c1cc(OCCc2ccc(F)cc2)cc(O)c1C(=O)OC(C)C
InChIKey: FCEUWCCPWISOHZ-AATRIKPKSA-N
Target: Receptor-type tyrosine-protein kinase FLT3 (SINGLE PROTEIN), Homo sapiens
UniProt: P36888
Assay: Inhibition of recombinant FLT3 D835Y mutant (unknown origin) by TR-FRET assay
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 427.47, ALogP 4.03, HBA 5, HBD 2, PSA 84.86, QED 0.44
Compound (SMILES): C=CC(=O)NC/C=C/c1cc(OCCCN2CCOCC2)cc(O)c1C(=O)OC(C)C
InChIKey: PQTNJXIVUYLEBO-FNORWQNLSA-N
Target: Receptor-type tyrosine-protein kinase FLT3 (SINGLE PROTEIN), Homo sapiens
UniProt: P36888
Assay: Inhibition of recombinant FLT3 D835Y mutant (unknown origin) by TR-FRET assay
Measurement: IC50 = 2810 nM (pChEMBL 5.550000190734863)
Descriptors: MW 432.52, ALogP 2.37, HBA 7, HBD 2, PSA 97.33, QED 0.31
Compound (SMILES): C/C=C/C(=O)NC/C=C/c1cc(OCCCN2CCOCC2)cc(O)c1C(=O)OC(C)C
InChIKey: RWUPAXMLORGXTQ-NSLJXJERSA-N
Target: Receptor-type tyrosine-protein kinase FLT3 (SINGLE PROTEIN), Homo sapiens
UniProt: P36888
Assay: Inhibition of recombinant FLT3 D835Y mutant (unknown origin) by TR-FRET assay
Measurement: IC50 = 10520 nM (pChEMBL 4.980000019073486)
Descriptors: MW 446.54, ALogP 2.76, HBA 7, HBD 2, PSA 97.33, QED 0.31
Compound (SMILES): CCN(CC)C/C=C/C(=O)NC/C=C/c1cc(OC)cc(O)c1C(=O)OC(C)C
InChIKey: AYARGXJHCUGUOP-GFULKKFKSA-N
Target: Receptor-type tyrosine-protein kinase FLT3 (SINGLE PROTEIN), Homo sapiens
UniProt: P36888
Assay: Inhibition of recombinant FLT3 D835Y mutant (unknown origin) by TR-FRET assay
Measurement: IC50 = 15900 nM (pChEMBL 4.800000190734863)
Descriptors: MW 404.51, ALogP 2.99, HBA 6, HBD 2, PSA 88.1, QED 0.44
Compound (SMILES): CCN(CC)C/C=C/C(=O)NC/C=C/c1cc(OCCc2ccc(F)cc2)cc(O)c1C(=O)OC(C)C
InChIKey: PSSBOMCDASXUJE-FIFLTTCUSA-N
Target: Receptor-type tyrosine-protein kinase FLT3 (SINGLE PROTEIN), Homo sapiens
UniProt: P36888
Assay: Inhibition of recombinant FLT3 D835Y mutant (unknown origin) by TR-FRET assay
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 512.62, ALogP 4.75, HBA 6, HBD 2, PSA 88.1, QED 0.28
Compound (SMILES): C=CS(=O)(=O)NC/C=C/c1cc(OC)cc(O)c1C(=O)OC(C)C
InChIKey: MUOPTICQIVCTKK-VOTSOKGWSA-N
Target: Receptor-type tyrosine-protein kinase FLT3 (SINGLE PROTEIN), Homo sapiens
UniProt: P36888
Assay: Inhibition of recombinant FLT3 D835Y mutant (unknown origin) by TR-FRET assay
Measurement: IC50 = 12030 nM (pChEMBL 4.920000076293945)
Descriptors: MW 355.41, ALogP 2.04, HBA 6, HBD 2, PSA 101.93, QED 0.69
Compound (SMILES): C=CS(=O)(=O)NCCCc1cc(OCCN2CCOCC2)cc(O)c1C(=O)OC(C)C
InChIKey: KMBASEXJNDTEKF-UHFFFAOYSA-N
Target: Receptor-type tyrosine-protein kinase FLT3 (SINGLE PROTEIN), Homo sapiens
UniProt: P36888
Assay: Inhibition of recombinant FLT3 D835Y mutant (unknown origin) by TR-FRET assay
Measurement: IC50 = 18590 nM (pChEMBL 4.730000019073486)
Descriptors: MW 456.56, ALogP 1.66, HBA 8, HBD 2, PSA 114.4, QED 0.36
Compound (SMILES): C=CS(=O)(=O)NC/C=C/c1cc(OC)cc(O)c1C(=O)OCc1ccc(Br)cc1
InChIKey: BYSUDTIZZVWWRN-SNAWJCMRSA-N
Target: Receptor-type tyrosine-protein kinase FLT3 (SINGLE PROTEIN), Homo sapiens
UniProt: P36888
Assay: Inhibition of recombinant FLT3 D835Y mutant (unknown origin) by TR-FRET assay
Measurement: IC50 >= 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 482.35, ALogP 3.6, HBA 6, HBD 2, PSA 101.93, QED 0.53
Compound (SMILES): C=CS(=O)(=O)NC/C=C/c1cc(OC)cc(O)c1C(=O)OCc1ccc(F)cc1
InChIKey: DUGPCZHFWXIYOQ-SNAWJCMRSA-N
Target: Receptor-type tyrosine-protein kinase FLT3 (SINGLE PROTEIN), Homo sapiens
UniProt: P36888
Assay: Inhibition of recombinant FLT3 D835Y mutant (unknown origin) by TR-FRET assay
Measurement: IC50 >= 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 421.45, ALogP 2.97, HBA 6, HBD 2, PSA 101.93, QED 0.6
Compound (SMILES): C=CS(=O)(=O)NC/C=C/c1cc(OC)cc(O)c1C(=O)OCC1CCCCC1
InChIKey: ATUDTIXNQBUXLW-JXMROGBWSA-N
Target: Receptor-type tyrosine-protein kinase FLT3 (SINGLE PROTEIN), Homo sapiens
UniProt: P36888
Assay: Inhibition of recombinant FLT3 D835Y mutant (unknown origin) by TR-FRET assay
Measurement: IC50 >= 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 409.5, ALogP 3.21, HBA 6, HBD 2, PSA 101.93, QED 0.61
Compound (SMILES): C=CS(=O)(=O)NC/C=C/c1cc(OC)cc(O)c1C(=O)OCC(C)c1ccccc1
InChIKey: VFDHFEQIJJDKDY-DHZHZOJOSA-N
Target: Receptor-type tyrosine-protein kinase FLT3 (SINGLE PROTEIN), Homo sapiens
UniProt: P36888
Assay: Inhibition of recombinant FLT3 D835Y mutant (unknown origin) by TR-FRET assay
Measurement: IC50 >= 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 431.51, ALogP 3.44, HBA 6, HBD 2, PSA 101.93, QED 0.56
Compound (SMILES): COc1cc(/C=C/CN2C(=O)C=CC2=O)c(C(=O)OC(C)C)c(OC(C)=O)c1
InChIKey: HXHBSIAMAXVOGO-AATRIKPKSA-N
Target: Receptor-type tyrosine-protein kinase FLT3 (SINGLE PROTEIN), Homo sapiens
UniProt: P36888
Assay: Inhibition of recombinant FLT3 D835Y mutant (unknown origin) by TR-FRET assay
Measurement: IC50 = 3610 nM (pChEMBL 5.440000057220459)
Descriptors: MW 387.39, ALogP 2.12, HBA 7, HBD 0, PSA 99.21, QED 0.4
Compound (SMILES): COc1cc(O)c(C(=O)OC(C)C)c(/C=C/CN2C(=O)C=CC2=O)c1
InChIKey: GVXKCJBXMDSSDN-SNAWJCMRSA-N
Target: Receptor-type tyrosine-protein kinase FLT3 (SINGLE PROTEIN), Homo sapiens
UniProt: P36888
Assay: Inhibition of recombinant FLT3 D835Y mutant (unknown origin) by TR-FRET assay
Measurement: IC50 = 1340 nM (pChEMBL 5.869999885559082)
Descriptors: MW 345.35, ALogP 1.9, HBA 6, HBD 1, PSA 93.14, QED 0.63
Compound (SMILES): COc1cc(O)c(C(=O)OC(C)C)c(CCCN2C(=O)C=CC2=O)c1
InChIKey: KZOCHFOMHKJHFF-UHFFFAOYSA-N
Target: Receptor-type tyrosine-protein kinase FLT3 (SINGLE PROTEIN), Homo sapiens
UniProt: P36888
Assay: Inhibition of recombinant FLT3 D835Y mutant (unknown origin) by TR-FRET assay
Measurement: IC50 = 3030 nM (pChEMBL 5.519999980926514)
Descriptors: MW 347.37, ALogP 1.82, HBA 6, HBD 1, PSA 93.14, QED 0.6