lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): Nc1nc(-c2ccc(F)cc2)cn1CC(O)c1ccc(C(F)(F)F)cc1Cl
InChIKey: FOYATTRUCTWKBC-UHFFFAOYSA-N
Target: Voltage-gated inwardly rectifying potassium channel KCNH2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12809
Assay: Inhibition of human ERG
Measurement: IC50 = 25000 nM (pChEMBL 4.599999904632568)
Descriptors: MW 399.77, ALogP 4.68, HBA 4, HBD 2, PSA 64.07, QED 0.63
Compound (SMILES): Nc1nc2ccccc2n1CC(O)c1ccc(Cl)cc1Cl
InChIKey: QGCJUDXMBSEEBD-UHFFFAOYSA-N
Target: Voltage-gated inwardly rectifying potassium channel KCNH2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12809
Assay: Inhibition of human ERG
Measurement: IC50 = 10300 nM (pChEMBL 4.989999771118164)
Descriptors: MW 322.19, ALogP 3.66, HBA 4, HBD 2, PSA 64.07, QED 0.77
Compound (SMILES): N#Cc1ccc2nc(N)n(CC(O)c3cccc(Cl)c3Cl)c2c1
InChIKey: VXAWXPRCMSBQSR-UHFFFAOYSA-N
Target: Voltage-gated inwardly rectifying potassium channel KCNH2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12809
Assay: Inhibition of human ERG
Measurement: IC50 > 33300 nM (pChEMBL 4.478000164031982)
Descriptors: MW 347.2, ALogP 3.53, HBA 5, HBD 2, PSA 87.86, QED 0.76
Compound (SMILES): CS(=O)(=O)c1ccc2nc(N)n(CC(O)c3cccc(Cl)c3Cl)c2c1
InChIKey: CUAXWOBIJMYHSP-UHFFFAOYSA-N
Target: Voltage-gated inwardly rectifying potassium channel KCNH2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12809
Assay: Inhibition of human ERG
Measurement: IC50 > 33300 nM (pChEMBL 4.478000164031982)
Descriptors: MW 400.29, ALogP 3.06, HBA 6, HBD 2, PSA 98.21, QED 0.7
Compound (SMILES): Nc1nc2ccc(Cl)cc2n1CC(O)c1cccc(Cl)c1Cl
InChIKey: WADBSUZEKGZBKU-UHFFFAOYSA-N
Target: Voltage-gated inwardly rectifying potassium channel KCNH2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12809
Assay: Inhibition of human ERG
Measurement: IC50 > 33300 nM (pChEMBL 4.478000164031982)
Descriptors: MW 356.64, ALogP 4.31, HBA 4, HBD 2, PSA 64.07, QED 0.73
Compound (SMILES): Nc1nc2ccc(C(F)(F)F)cc2n1CC(O)c1ccc(C(F)(F)F)cc1Cl
InChIKey: KAHGRTFKEJELQL-UHFFFAOYSA-N
Target: Voltage-gated inwardly rectifying potassium channel KCNH2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12809
Assay: Inhibition of human ERG
Measurement: IC50 > 10500 nM (pChEMBL 4.979000091552734)
Descriptors: MW 423.74, ALogP 5.04, HBA 4, HBD 2, PSA 64.07, QED 0.58
Compound (SMILES): Nc1nc2cccnc2n1CC(O)c1cccc(Cl)c1Cl
InChIKey: IKURNPPRPBOJIH-UHFFFAOYSA-N
Target: Voltage-gated inwardly rectifying potassium channel KCNH2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12809
Assay: Inhibition of human ERG
Measurement: IC50 > 33300 nM (pChEMBL 4.478000164031982)
Descriptors: MW 323.18, ALogP 3.05, HBA 5, HBD 2, PSA 76.96, QED 0.78
Compound (SMILES): CN1CCN(c2ccc3nc(N)n(CC(O)c4ccc(C(F)(F)F)cc4Cl)c3n2)CC1
InChIKey: ZQMUEFCLRDQIPA-UHFFFAOYSA-N
Target: Cytochrome P450 2C9 (SINGLE PROTEIN), Homo sapiens
UniProt: P11712
Assay: Inhibition of CYP2C9 (unknown origin)
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 454.88, ALogP 3.17, HBA 7, HBD 2, PSA 83.44, QED 0.63
Compound (SMILES): Nc1nc2ccc(NCC(F)(F)F)nc2n1CC(O)c1ccc(Cl)cc1Cl
InChIKey: LMUKORAVEXWMPG-UHFFFAOYSA-N
Target: Voltage-gated inwardly rectifying potassium channel KCNH2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12809
Assay: Inhibition of human ERG
Measurement: IC50 = 3500 nM (pChEMBL 5.460000038146973)
Descriptors: MW 420.22, ALogP 4.03, HBA 6, HBD 3, PSA 88.99, QED 0.58
Compound (SMILES): Nc1nc2ccc(OCC(F)(F)F)nc2n1CC(O)c1ccc(C(F)(F)F)cc1Cl
InChIKey: VTCWFCGQSIOJEL-UHFFFAOYSA-N
Target: Voltage-gated inwardly rectifying potassium channel KCNH2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12809
Assay: Inhibition of human ERG
Measurement: IC50 > 33300 nM (pChEMBL 4.478000164031982)
Descriptors: MW 454.76, ALogP 4.36, HBA 6, HBD 2, PSA 86.19, QED 0.56
Compound (SMILES): Nc1nc2ccc(OC3CCOC3)nc2n1CC(O)c1ccc(C(F)(F)F)cc1Cl
InChIKey: QAKLYMPRDNHSCY-UHFFFAOYSA-N
Target: Cytochrome P450 2C9 (SINGLE PROTEIN), Homo sapiens
UniProt: P11712
Assay: Inhibition of CYP2C9 (unknown origin)
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 442.83, ALogP 3.59, HBA 7, HBD 2, PSA 95.42, QED 0.63
Compound (SMILES): Nc1nc2ccc(OC3CNC3)nc2n1CC(O)c1ccc(C(F)(F)F)cc1Cl
InChIKey: VUWBGLZAEMROMC-UHFFFAOYSA-N
Target: Voltage-gated inwardly rectifying potassium channel KCNH2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12809
Assay: Inhibition of human ERG
Measurement: IC50 > 33300 nM (pChEMBL 4.478000164031982)
Descriptors: MW 427.81, ALogP 2.77, HBA 7, HBD 3, PSA 98.22, QED 0.58
Compound (SMILES): CC(Oc1ccc2nc(N)n(CC(O)c3ccc(C(F)(F)F)cc3Cl)c2n1)C(F)(F)F
InChIKey: POQVSNVXDFTBIQ-UHFFFAOYSA-N
Target: Voltage-gated inwardly rectifying potassium channel KCNH2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12809
Assay: Inhibition of human ERG
Measurement: IC50 > 33300 nM (pChEMBL 4.478000164031982)
Descriptors: MW 468.79, ALogP 4.75, HBA 6, HBD 2, PSA 86.19, QED 0.53
Compound (SMILES): CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)[C@@H](C)O
InChIKey: BGCOQXGBVMYZEV-PHVDLQBRSA-N
Target: Calpain-1 catalytic subunit (SINGLE PROTEIN), Homo sapiens
UniProt: P07384
Assay: Inhibition of calpain-1 (unknown origin) using Suc-LY-AMC as substrate by fluorescence assay
Measurement: Ki = 12500 nM (pChEMBL 4.900000095367432)
Descriptors: MW 906.99, ALogP -5.96, HBA 14, HBD 9, PSA 357.04, QED 0.05
Compound (SMILES): CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(N)=O)[C@@H](C)O
InChIKey: KCUQNQKAHVPTTC-LYJLDIIBSA-N
Target: Calpain-1 catalytic subunit (SINGLE PROTEIN), Homo sapiens
UniProt: P07384
Assay: Inhibition of calpain-1 (unknown origin) using Suc-LY-AMC as substrate by fluorescence assay
Measurement: Ki = 17140 nM (pChEMBL 4.769999980926514)
Descriptors: MW 996.09, ALogP -4.74, HBA 14, HBD 11, PSA 381.62, QED 0.05
Compound (SMILES): CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(N)=O)[C@@H](C)O
InChIKey: NGBYUWAMYNPWIY-YUIARNSFSA-N
Target: Calpain-1 catalytic subunit (SINGLE PROTEIN), Homo sapiens
UniProt: P07384
Assay: Inhibition of calpain-1 (unknown origin) using Suc-LY-AMC as substrate by fluorescence assay
Measurement: Ki = 21920 nM (pChEMBL 4.659999847412109)
Descriptors: MW 896.95, ALogP -7.47, HBA 15, HBD 11, PSA 386.06, QED 0.05
Compound (SMILES): C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)O)C(N)=O
InChIKey: IQTHZPCJSGZJFZ-ONMVAEFKSA-N
Target: Calpain-1 catalytic subunit (SINGLE PROTEIN), Homo sapiens
UniProt: P07384
Assay: Inhibition of calpain-1 (unknown origin) using Suc-LY-AMC as substrate by fluorescence assay
Measurement: Ki > 100000 nM (pChEMBL 4)
Descriptors: MW 894.94, ALogP -7.63, HBA 15, HBD 10, PSA 377.27, QED 0.06
Compound (SMILES): CC(C)[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)[C@@H](C)O
InChIKey: YJLIXDTVRPQDMS-ANMOMOJYSA-N
Target: Calpain-1 catalytic subunit (SINGLE PROTEIN), Homo sapiens
UniProt: P07384
Assay: Inhibition of calpain-1 (unknown origin) using Suc-LY-AMC as substrate by fluorescence assay
Measurement: Ki > 50000 nM (pChEMBL 4.301000118255615)
Descriptors: MW 892.96, ALogP -6.35, HBA 14, HBD 9, PSA 357.04, QED 0.06
Compound (SMILES): CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)[C@@H](C)O
InChIKey: FFXSWOBMPGDZHE-LYNVWAQWSA-N
Target: Calpain-1 catalytic subunit (SINGLE PROTEIN), Homo sapiens
UniProt: P07384
Assay: Inhibition of calpain-1 (unknown origin) using Suc-LY-AMC as substrate by fluorescence assay
Measurement: Ki = 23730 nM (pChEMBL 4.619999885559082)
Descriptors: MW 976.1, ALogP -5.69, HBA 14, HBD 11, PSA 398.71, QED 0.02
Compound (SMILES): CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)[C@@H](C)O
InChIKey: FWJXEZTZENMNGC-NOGXCREESA-N
Target: Calpain-1 catalytic subunit (SINGLE PROTEIN), Homo sapiens
UniProt: P07384
Assay: Inhibition of calpain-1 (unknown origin) using Suc-LY-AMC as substrate by fluorescence assay
Measurement: Ki = 8380 nM (pChEMBL 5.079999923706055)
Descriptors: MW 921.02, ALogP -5.57, HBA 14, HBD 9, PSA 357.04, QED 0.05
Compound (SMILES): CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)[C@@H](C)O
InChIKey: QIHRHVFACRDSQA-YUIARNSFSA-N
Target: Calpain-1 catalytic subunit (SINGLE PROTEIN), Homo sapiens
UniProt: P07384
Assay: Inhibition of calpain-1 (unknown origin) using Suc-LY-AMC as substrate by fluorescence assay
Measurement: Ki > 100000 nM (pChEMBL 4)
Descriptors: MW 896.95, ALogP -7.47, HBA 15, HBD 11, PSA 386.06, QED 0.05
Compound (SMILES): CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)[C@@H](C)O
InChIKey: RHLYMXLJVJZFIB-IKBCPTKASA-N
Target: Calpain-1 catalytic subunit (SINGLE PROTEIN), Homo sapiens
UniProt: P07384
Assay: Inhibition of calpain-1 (unknown origin) using Suc-LY-AMC as substrate by fluorescence assay
Measurement: Ki > 100000 nM (pChEMBL 4)
Descriptors: MW 938.01, ALogP -7.2, HBA 15, HBD 11, PSA 408.92, QED 0.04
Compound (SMILES): COc1cccc(-c2cc(C(=O)N(C)c3cccc(OC)c3)cs2)c1
InChIKey: WTWIDZNPWLNUBG-UHFFFAOYSA-N
Target: 17-beta-hydroxysteroid dehydrogenase type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P37059
Assay: Inhibition of human placental 17beta-HSD2 microsomal fraction using tritiated estradiol as substrate assessed as formation of estrone by HPLC analysis
Measurement: IC50 = 621 nM (pChEMBL 6.210000038146973)
Descriptors: MW 353.44, ALogP 4.71, HBA 4, HBD 0, PSA 38.77, QED 0.67
Compound (SMILES): CN(Cc1cccc(O)c1)C(=O)c1csc(-c2cccc(O)c2)c1
InChIKey: HWCMHTPMOIPZTN-UHFFFAOYSA-N
Target: 17-beta-hydroxysteroid dehydrogenase type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P37059
Assay: Inhibition of human placental 17beta-HSD2 microsomal fraction using tritiated estradiol as substrate assessed as formation of estrone by HPLC analysis
Measurement: IC50 = 829 nM (pChEMBL 6.079999923706055)
Descriptors: MW 339.42, ALogP 4.1, HBA 4, HBD 2, PSA 60.77, QED 0.75
Compound (SMILES): COc1cccc(-c2csc(C(=O)N(C)c3cccc(OC)c3)c2)c1
InChIKey: HAYUAPLAHDTHBX-UHFFFAOYSA-N
Target: 17-beta-hydroxysteroid dehydrogenase type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P37059
Assay: Inhibition of human placental 17beta-HSD2 microsomal fraction using tritiated estradiol as substrate assessed as formation of estrone by HPLC analysis
Measurement: IC50 = 487 nM (pChEMBL 6.309999942779541)
Descriptors: MW 353.44, ALogP 4.71, HBA 4, HBD 0, PSA 38.77, QED 0.67
Compound (SMILES): CN(Cc1cccc(O)c1)C(=O)c1cc(-c2cccc(O)c2)cs1
InChIKey: MELBIPIFASLZJG-UHFFFAOYSA-N
Target: 17-beta-hydroxysteroid dehydrogenase type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P37059
Assay: Inhibition of human placental 17beta-HSD2 microsomal fraction using tritiated estradiol as substrate assessed as formation of estrone by HPLC analysis
Measurement: IC50 = 748 nM (pChEMBL 6.130000114440918)
Descriptors: MW 339.42, ALogP 4.1, HBA 4, HBD 2, PSA 60.77, QED 0.75
Compound (SMILES): COc1cccc(N(C)C(=O)c2cnc(-c3cccc(C)c3)s2)c1
InChIKey: GAPXWANXZGVGIY-UHFFFAOYSA-N
Target: 17-beta-hydroxysteroid dehydrogenase type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P37059
Assay: Displacement of [3H]E2 from human placental microsomal 17beta-HSD2 after 20 mins by cell-free assay
Measurement: IC50 = 621 nM (pChEMBL 6.210000038146973)
Descriptors: MW 338.43, ALogP 4.4, HBA 4, HBD 0, PSA 42.43, QED 0.71
Compound (SMILES): COc1cccc(N(C)C(=O)c2ncc(-c3cccc(C)c3)s2)c1
InChIKey: HEOFCTDOHLBFLO-UHFFFAOYSA-N
Target: 17-beta-hydroxysteroid dehydrogenase type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P14061
Assay: Inhibition of human placental 17beta-HSD1 cytosolic fraction using tritiated estrone as substrate assessed as formation of estradiol by HPLC analysis
Measurement: IC50 = 18663 nM (pChEMBL 4.730000019073486)
Descriptors: MW 338.43, ALogP 4.4, HBA 4, HBD 0, PSA 42.43, QED 0.71
Compound (SMILES): COc1cccc(-c2ccc(C(=O)N(Cc3cccc(O)c3)C3CC3)s2)c1F
InChIKey: GGRMNYHENOAJKH-UHFFFAOYSA-N
Target: 17-beta-hydroxysteroid dehydrogenase type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P37059
Assay: Inhibition of human placental 17beta-HSD2 microsomal fraction using tritiated estradiol as substrate assessed as formation of estrone by HPLC analysis
Measurement: IC50 = 599 nM (pChEMBL 6.21999979019165)
Descriptors: MW 397.47, ALogP 5.07, HBA 4, HBD 1, PSA 49.77, QED 0.63
Compound (SMILES): CN(C(=O)c1cc(-c2cccc(O)c2)sc1-c1cccc(O)c1)c1cccc(O)c1
InChIKey: PPQNPKZWJCTPDA-UHFFFAOYSA-N
Target: 17-beta-hydroxysteroid dehydrogenase type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P37059
Assay: Inhibition of human placental 17beta-HSD2 microsomal fraction using tritiated estradiol as substrate assessed as formation of estrone by HPLC analysis
Measurement: IC50 = 362 nM (pChEMBL 6.440000057220459)
Descriptors: MW 417.49, ALogP 5.48, HBA 5, HBD 3, PSA 81, QED 0.41
Compound (SMILES): COc1cccc(-c2cc(C)c(C(=O)N(C)Cc3cccc(O)c3)s2)c1F
InChIKey: JVVLBENNFHXWCI-UHFFFAOYSA-N
Target: 17-beta-hydroxysteroid dehydrogenase type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P37059
Assay: Inhibition of human placental 17beta-HSD2 microsomal fraction using tritiated estradiol as substrate assessed as formation of estrone by HPLC analysis
Measurement: IC50 = 235 nM (pChEMBL 6.630000114440918)
Descriptors: MW 385.46, ALogP 4.85, HBA 4, HBD 1, PSA 49.77, QED 0.68
Compound (SMILES): CN(C(=S)c1ccc(-c2cccc(O)c2)s1)c1cccc(O)c1
InChIKey: WYARGLNTTFAGGW-UHFFFAOYSA-N
Target: 17-beta-hydroxysteroid dehydrogenase type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P37059
Assay: Inhibition of human placental 17beta-HSD2 microsomal fraction using tritiated estradiol as substrate assessed as formation of estrone by HPLC analysis
Measurement: IC50 = 461 nM (pChEMBL 6.340000152587891)
Descriptors: MW 341.46, ALogP 4.64, HBA 4, HBD 2, PSA 43.7, QED 0.68
Compound (SMILES): CC(C)(C(=O)c1ccc(-c2cccc(O)c2)s1)c1cccc(O)c1
InChIKey: RKQUGWKRIXMEEW-UHFFFAOYSA-N
Target: 17-beta-hydroxysteroid dehydrogenase type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P37059
Assay: Inhibition of human placental 17beta-HSD2 microsomal fraction using tritiated estradiol as substrate assessed as formation of estrone by HPLC analysis
Measurement: IC50 = 357 nM (pChEMBL 6.449999809265137)
Descriptors: MW 338.43, ALogP 4.99, HBA 4, HBD 2, PSA 57.53, QED 0.66
Compound (SMILES): COc1ccc(C(Nc2nc3ccccc3s2)c2c(O)ccc3ccccc23)cc1
InChIKey: ILCZFXZRDKWDBF-UHFFFAOYSA-N
Target: Angiotensin-converting enzyme (SINGLE PROTEIN), Oryctolagus cuniculus
UniProt: P12822
Assay: Inhibition of rabbit lung ACE assessed as inhibition of hippuryl-histidyl-leucine substrate hydrolysis pretreated for 10 mins followed by addition of 5 mM HHL substrate for 30 mins measured as hippuric acid release
Measurement: IC50 = 837 nM (pChEMBL 6.079999923706055)
Descriptors: MW 412.51, ALogP 6.37, HBA 5, HBD 2, PSA 54.38, QED 0.35
Compound (SMILES): COc1ccc(C(Nc2nc3c(Cl)cccc3s2)c2c(O)ccc3ccccc23)cc1
InChIKey: WGRLLEVKSGEEJJ-UHFFFAOYSA-N
Target: Angiotensin-converting enzyme (SINGLE PROTEIN), Oryctolagus cuniculus
UniProt: P12822
Assay: Inhibition of rabbit lung ACE assessed as inhibition of hippuryl-histidyl-leucine substrate hydrolysis pretreated for 10 mins followed by addition of 5 mM HHL substrate for 30 mins measured as hippuric acid release
Measurement: IC50 = 607 nM (pChEMBL 6.21999979019165)
Descriptors: MW 446.96, ALogP 7.02, HBA 5, HBD 2, PSA 54.38, QED 0.3
Compound (SMILES): CCOC(OCC)c1ccc(/C=C2\CCC/C(=C\c3ccc(C(OCC)OCC)cc3)C2=O)cc1
InChIKey: UJOCWYJFYFOBLR-CRYYDKFDSA-N
Target: Acetylcholinesterase (SINGLE PROTEIN), Homo sapiens
UniProt: P22303
Assay: Inhibition of AChE (unknown origin) after 5 mins by Ellman's method
Measurement: IC50 = 12430 nM (pChEMBL 4.909999847412109)
Descriptors: MW 478.63, ALogP 7.05, HBA 5, HBD 0, PSA 53.99, QED 0.24
Compound (SMILES): CCOC(OCC)c1ccc(/C=C2\COC/C(=C\c3ccc(C(OCC)OCC)cc3)C2=O)cc1
InChIKey: NIKCPSATYGTTMA-RPCRKUJJSA-N
Target: Prostaglandin G/H synthase 1 (SINGLE PROTEIN), Ovis aries
UniProt: P05979
Assay: Inhibition of ovine COX1 using arachidonic acid substrate assessed as PGE2 production ELISA method after 2 mins
Measurement: IC50 = 990 nM (pChEMBL 6)
Descriptors: MW 480.6, ALogP 5.9, HBA 6, HBD 0, PSA 63.22, QED 0.28
Compound (SMILES): CCOC(OCC)c1ccc(/C=C2\CNC/C(=C\c3ccc(C(OCC)OCC)cc3)C2=O)cc1
InChIKey: DDAUUFHOQWDQAE-RPCRKUJJSA-N
Target: Acetylcholinesterase (SINGLE PROTEIN), Homo sapiens
UniProt: P22303
Assay: Inhibition of AChE (unknown origin) after 5 mins by Ellman's method
Measurement: IC50 = 920 nM (pChEMBL 6.039999961853027)
Descriptors: MW 479.62, ALogP 5.47, HBA 6, HBD 1, PSA 66.02, QED 0.32
Compound (SMILES): CCOC(OCC)c1ccc(/C=C2\CN(C)C/C(=C\c3ccc(C(OCC)OCC)cc3)C2=O)cc1
InChIKey: SYSVLGHQDUURRS-BFNWXZRRSA-N
Target: Prostaglandin G/H synthase 1 (SINGLE PROTEIN), Ovis aries
UniProt: P05979
Assay: Inhibition of ovine COX1 using arachidonic acid substrate assessed as PGE2 production ELISA method after 2 mins
Measurement: IC50 = 370 nM (pChEMBL 6.429999828338623)
Descriptors: MW 493.64, ALogP 5.81, HBA 6, HBD 0, PSA 57.23, QED 0.27
Compound (SMILES): CCOC(OCC)c1ccc(/C=C2\CN(Cc3ccccc3)C/C(=C\c3ccc(C(OCC)OCC)cc3)C2=O)cc1
InChIKey: NWYPJHLABDEGAV-VDTYKYKFSA-N
Target: Prostaglandin G/H synthase 1 (SINGLE PROTEIN), Ovis aries
UniProt: P05979
Assay: Inhibition of ovine COX1 using arachidonic acid substrate assessed as PGE2 production ELISA method after 2 mins
Measurement: IC50 = 3170 nM (pChEMBL 5.5)
Descriptors: MW 569.74, ALogP 7.38, HBA 6, HBD 0, PSA 57.23, QED 0.15
Compound (SMILES): CCOC(OCC)c1ccc(/C=C/C(=O)/C=C/c2ccc(C(OCC)OCC)cc2)cc1
InChIKey: AOWXEKJUCRUODJ-IWGRKNQJSA-N
Target: Prostaglandin G/H synthase 1 (SINGLE PROTEIN), Ovis aries
UniProt: P05979
Assay: Inhibition of ovine COX1 using arachidonic acid substrate assessed as PGE2 production ELISA method after 2 mins
Measurement: IC50 = 3220 nM (pChEMBL 5.489999771118164)
Descriptors: MW 438.56, ALogP 6.13, HBA 5, HBD 0, PSA 53.99, QED 0.26
Compound (SMILES): CCOC(OCC)c1ccc(/C=C2\CC/C(=C\c3ccc(C(OCC)OCC)cc3)C2=O)cc1
InChIKey: IGIVWVRRRYBFGO-FQHZWJPGSA-N
Target: Acetylcholinesterase (SINGLE PROTEIN), Homo sapiens
UniProt: P22303
Assay: Inhibition of AChE (unknown origin) after 5 mins by Ellman's method
Measurement: IC50 = 76640 nM (pChEMBL 4.119999885559082)
Descriptors: MW 464.6, ALogP 6.66, HBA 5, HBD 0, PSA 53.99, QED 0.26
Compound (SMILES): CCOC(OCC)c1ccc(/C=C2\Cc3ccccc3C2=O)cc1
InChIKey: LNSBOWGBLGUITB-QGOAFFKASA-N
Target: Prostaglandin G/H synthase 1 (SINGLE PROTEIN), Ovis aries
UniProt: P05979
Assay: Inhibition of ovine COX1 using arachidonic acid substrate assessed as PGE2 production ELISA method after 2 mins
Measurement: IC50 = 2220 nM (pChEMBL 5.650000095367432)
Descriptors: MW 322.4, ALogP 4.58, HBA 3, HBD 0, PSA 35.53, QED 0.58
Compound (SMILES): CCOC(OCC)c1ccc(/C=C2\CCc3ccccc3C2=O)cc1
InChIKey: WXMIPXTYWLFKOL-XDJHFCHBSA-N
Target: Acetylcholinesterase (SINGLE PROTEIN), Homo sapiens
UniProt: P22303
Assay: Inhibition of AChE (unknown origin) after 5 mins by Ellman's method
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 336.43, ALogP 4.97, HBA 3, HBD 0, PSA 35.53, QED 0.55
Compound (SMILES): CCOC(OCC)c1ccc(/C=C/C(=O)C2CCc3ccccc3C2=O)cc1
InChIKey: NDEHDMRZWMNMPY-LFIBNONCSA-N
Target: Acetylcholinesterase (SINGLE PROTEIN), Homo sapiens
UniProt: P22303
Assay: Inhibition of AChE (unknown origin) after 5 mins by Ellman's method
Measurement: IC50 = 76930 nM (pChEMBL 4.110000133514404)
Descriptors: MW 378.47, ALogP 4.79, HBA 4, HBD 0, PSA 52.6, QED 0.38
Compound (SMILES): CN(C)c1ccc(/C=C2/CCC/C(=C\c3ccc(N(C)C)cc3[N+](=O)[O-])C2=O)c([N+](=O)[O-])c1
InChIKey: RMXPZACONAODOR-MGYAYREDSA-N
Target: Prostaglandin G/H synthase 1 (SINGLE PROTEIN), Ovis aries
UniProt: P05979
Assay: Inhibition of ovine COX1 using arachidonic acid substrate assessed as PGE2 production ELISA method after 2 mins
Measurement: IC50 = 420 nM (pChEMBL 6.380000114440918)
Descriptors: MW 450.5, ALogP 4.86, HBA 7, HBD 0, PSA 109.83, QED 0.35
Compound (SMILES): CN(C)c1ccc(/C=C2/COC/C(=C\c3ccc(N(C)C)cc3[N+](=O)[O-])C2=O)c([N+](=O)[O-])c1
InChIKey: MBVQFYXELMNIPW-BUOZRGFLSA-N
Target: Acetylcholinesterase (SINGLE PROTEIN), Homo sapiens
UniProt: P22303
Assay: Inhibition of AChE (unknown origin) after 5 mins by Ellman's method
Measurement: IC50 = 1540 nM (pChEMBL 5.809999942779541)
Descriptors: MW 452.47, ALogP 3.7, HBA 8, HBD 0, PSA 119.06, QED 0.37
Compound (SMILES): CN(C)c1ccc(/C=C2/CNC/C(=C\c3ccc(N(C)C)cc3[N+](=O)[O-])C2=O)c([N+](=O)[O-])c1
InChIKey: VAIHSXCXCCBTNV-BUOZRGFLSA-N
Target: Acetylcholinesterase (SINGLE PROTEIN), Homo sapiens
UniProt: P22303
Assay: Inhibition of AChE (unknown origin) after 5 mins by Ellman's method
Measurement: IC50 = 880 nM (pChEMBL 6.059999942779541)
Descriptors: MW 451.48, ALogP 3.27, HBA 8, HBD 1, PSA 121.86, QED 0.4
Compound (SMILES): CN1C/C(=C/c2ccc(N(C)C)cc2[N+](=O)[O-])C(=O)/C(=C/c2ccc(N(C)C)cc2[N+](=O)[O-])C1
InChIKey: YLFXZYOUOHNWMF-OMYAATJGSA-N
Target: Acetylcholinesterase (SINGLE PROTEIN), Homo sapiens
UniProt: P22303
Assay: Inhibition of AChE (unknown origin) after 5 mins by Ellman's method
Measurement: IC50 = 57 nM (pChEMBL 7.239999771118164)
Descriptors: MW 465.51, ALogP 3.62, HBA 8, HBD 0, PSA 113.07, QED 0.36
Compound (SMILES): CN(C)c1ccc(/C=C2/CN(Cc3ccccc3)C/C(=C\c3ccc(N(C)C)cc3[N+](=O)[O-])C2=O)c([N+](=O)[O-])c1
InChIKey: RFESRTOEUQLFML-WJVNUPORSA-N
Target: Acetylcholinesterase (SINGLE PROTEIN), Homo sapiens
UniProt: P22303
Assay: Inhibition of AChE (unknown origin) after 5 mins by Ellman's method
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 541.61, ALogP 5.19, HBA 8, HBD 0, PSA 113.07, QED 0.22
Compound (SMILES): CN(C)c1ccc(/C=C/C(=O)/C=C/c2ccc(N(C)C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1
InChIKey: HZCDCDUVTDZUPK-MKICQXMISA-N
Target: Prostaglandin G/H synthase 1 (SINGLE PROTEIN), Ovis aries
UniProt: P05979
Assay: Inhibition of ovine COX1 using arachidonic acid substrate assessed as PGE2 production ELISA method after 2 mins
Measurement: IC50 = 3960 nM (pChEMBL 5.400000095367432)
Descriptors: MW 410.43, ALogP 3.93, HBA 7, HBD 0, PSA 109.83, QED 0.37
Compound (SMILES): CN(C)c1ccc(/C=C2\CC/C(=C\c3ccc(N(C)C)cc3[N+](=O)[O-])C2=O)c([N+](=O)[O-])c1
InChIKey: GYFZOMCNOOGJCR-JYFOCSDGSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35354
Assay: Inhibition of human recombinant COX2 using arachidonic acid substrate assessed as PGE2 production ELISA method after 2 mins
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 436.47, ALogP 4.46, HBA 7, HBD 0, PSA 109.83, QED 0.37
Compound (SMILES): CN(C)c1ccc(/C=C2\Cc3ccccc3C2=O)c([N+](=O)[O-])c1
InChIKey: QMNVHPSDQQWYCL-GXDHUFHOSA-N
Target: Acetylcholinesterase (SINGLE PROTEIN), Homo sapiens
UniProt: P22303
Assay: Inhibition of AChE (unknown origin) after 5 mins by Ellman's method
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 308.34, ALogP 3.48, HBA 4, HBD 0, PSA 63.45, QED 0.49
Compound (SMILES): CN(C)c1ccc(/C=C2\CCc3ccccc3C2=O)c([N+](=O)[O-])c1
InChIKey: RYPZHRBSAAITNL-RVDMUPIBSA-N
Target: Prostaglandin G/H synthase 1 (SINGLE PROTEIN), Ovis aries
UniProt: P05979
Assay: Inhibition of ovine COX1 using arachidonic acid substrate assessed as PGE2 production ELISA method after 2 mins
Measurement: IC50 = 21540 nM (pChEMBL 4.670000076293945)
Descriptors: MW 322.36, ALogP 3.87, HBA 4, HBD 0, PSA 63.45, QED 0.49
Compound (SMILES): CN(C)c1ccc(/C=C/C(=O)C2CCc3ccccc3C2=O)cc1
InChIKey: VXDFQSUSRRNODC-NTEUORMPSA-N
Target: Acetylcholinesterase (SINGLE PROTEIN), Homo sapiens
UniProt: P22303
Assay: Inhibition of AChE (unknown origin) after 5 mins by Ellman's method
Measurement: IC50 = 39440 nM (pChEMBL 4.400000095367432)
Descriptors: MW 319.4, ALogP 3.78, HBA 3, HBD 0, PSA 37.38, QED 0.64
Compound (SMILES): Cc1cccc(S(=O)(=O)NCCCCN2CCN(c3nsc4ccccc34)CC2)c1
InChIKey: GCISKOCCNUBHDG-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 100 nM (pChEMBL 7)
Descriptors: MW 444.63, ALogP 3.49, HBA 6, HBD 1, PSA 65.54, QED 0.54
Compound (SMILES): O=S(=O)(NCCCN1CCN(c2nsc3ccccc23)CC1)c1ccc(Cl)c(Cl)c1
InChIKey: NJTCYGAQRADUAS-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 15 nM (pChEMBL 7.820000171661377)
Descriptors: MW 485.46, ALogP 4.09, HBA 6, HBD 1, PSA 65.54, QED 0.51
Compound (SMILES): O=S(=O)(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1ccc(Cl)c(Cl)c1
InChIKey: FBKYNXBETLTSPE-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 71 nM (pChEMBL 7.150000095367432)
Descriptors: MW 499.49, ALogP 4.48, HBA 6, HBD 1, PSA 65.54, QED 0.46
Compound (SMILES): O=S(=O)(NCCCN1CCN(c2nsc3ccccc23)CC1)c1ccc(F)c(Cl)c1
InChIKey: FOBZBVWBEVBZHU-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 5.1 nM (pChEMBL 8.289999961853027)
Descriptors: MW 469.01, ALogP 3.58, HBA 6, HBD 1, PSA 65.54, QED 0.54
Compound (SMILES): O=S(=O)(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1ccc(F)c(Cl)c1
InChIKey: OQWYJSDRCMFVSW-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 53 nM (pChEMBL 7.28000020980835)
Descriptors: MW 483.03, ALogP 3.97, HBA 6, HBD 1, PSA 65.54, QED 0.49
Compound (SMILES): O=S(=O)(NCCCN1CCN(c2nsc3ccccc23)CC1)c1ccc(OC(F)(F)F)cc1
InChIKey: CBJLKVBQMMAZQJ-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 56 nM (pChEMBL 7.25)
Descriptors: MW 500.57, ALogP 3.69, HBA 7, HBD 1, PSA 74.77, QED 0.48
Compound (SMILES): O=S(=O)(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1ccc(OC(F)(F)F)cc1
InChIKey: PXFNUVRXAKDHRD-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 47 nM (pChEMBL 7.329999923706055)
Descriptors: MW 514.6, ALogP 4.08, HBA 7, HBD 1, PSA 74.77, QED 0.43
Compound (SMILES): O=S(=O)(NCCCN1CCN(c2nsc3ccccc23)CC1)c1cccs1
InChIKey: KKOAHOJCVVPWLC-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 140 nM (pChEMBL 6.849999904632568)
Descriptors: MW 422.6, ALogP 2.85, HBA 7, HBD 1, PSA 65.54, QED 0.59
Compound (SMILES): O=S(=O)(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1cccs1
InChIKey: VNEIHMUMEPSZBA-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 42 nM (pChEMBL 7.380000114440918)
Descriptors: MW 436.63, ALogP 3.24, HBA 7, HBD 1, PSA 65.54, QED 0.55
Compound (SMILES): O=S(=O)(NCCN1CCN(c2nsc3ccccc23)CC1)c1ccc2ccccc2c1
InChIKey: MRQHTSWENGWSMD-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 680 nM (pChEMBL 6.170000076293945)
Descriptors: MW 452.61, ALogP 3.55, HBA 6, HBD 1, PSA 65.54, QED 0.48
Compound (SMILES): O=S(=O)(NCCCN1CCN(c2nsc3ccccc23)CC1)c1ccc2ccccc2c1
InChIKey: XILFFKQSRRILNP-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 40 nM (pChEMBL 7.400000095367432)
Descriptors: MW 466.63, ALogP 3.94, HBA 6, HBD 1, PSA 65.54, QED 0.42
Compound (SMILES): O=S(=O)(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1ccc2ccccc2c1
InChIKey: RCWSDRYOQJIECB-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 480.66, ALogP 4.33, HBA 6, HBD 1, PSA 65.54, QED 0.38
Compound (SMILES): O=S(=O)(NCCCN1CCN(c2nsc3ccccc23)CC1)c1ccc2cc(Cl)ccc2c1
InChIKey: HKXKURPRSDNOEE-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 100 nM (pChEMBL 7)
Descriptors: MW 501.08, ALogP 4.59, HBA 6, HBD 1, PSA 65.54, QED 0.38
Compound (SMILES): O=S(=O)(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1ccc2cc(Cl)ccc2c1
InChIKey: YASIAEWQHNEVDZ-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 61 nM (pChEMBL 7.210000038146973)
Descriptors: MW 515.1, ALogP 4.98, HBA 6, HBD 1, PSA 65.54, QED 0.34
Compound (SMILES): O=S(=O)(NCCCN1CCN(c2nsc3ccccc23)CC1)c1cc2ccccc2s1
InChIKey: MDQMLURYMYEWDH-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 63 nM (pChEMBL 7.199999809265137)
Descriptors: MW 472.66, ALogP 4, HBA 7, HBD 1, PSA 65.54, QED 0.41
Compound (SMILES): O=S(=O)(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1cc2ccccc2s1
InChIKey: XKMZCZXGCDUIMM-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 33 nM (pChEMBL 7.480000019073486)
Descriptors: MW 486.69, ALogP 4.39, HBA 7, HBD 1, PSA 65.54, QED 0.37
Compound (SMILES): O=S(=O)(NCCCN1CCN(c2nsc3ccccc23)CC1)c1cc2ccc(Cl)cc2s1
InChIKey: KXOTZGMYAFGHKG-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 110 nM (pChEMBL 6.960000038146973)
Descriptors: MW 507.11, ALogP 4.66, HBA 7, HBD 1, PSA 65.54, QED 0.37
Compound (SMILES): O=S(=O)(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1cc2ccc(Cl)cc2s1
InChIKey: JJLIADRRWNTBBL-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 45 nM (pChEMBL 7.349999904632568)
Descriptors: MW 521.13, ALogP 5.05, HBA 7, HBD 1, PSA 65.54, QED 0.33
Compound (SMILES): Cc1c(S(=O)(=O)NCCCN2CCN(c3nsc4ccccc34)CC2)sc2ccc(F)cc12
InChIKey: UVIRMXOGFYHFJB-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 120 nM (pChEMBL 6.920000076293945)
Descriptors: MW 504.68, ALogP 4.45, HBA 7, HBD 1, PSA 65.54, QED 0.38
Compound (SMILES): Cc1c(S(=O)(=O)NCCCCN2CCN(c3nsc4ccccc34)CC2)sc2ccc(F)cc12
InChIKey: OIEGDDBPBCGRNO-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 54 nM (pChEMBL 7.269999980926514)
Descriptors: MW 518.71, ALogP 4.84, HBA 7, HBD 1, PSA 65.54, QED 0.34
Compound (SMILES): O=S(=O)(NCCCN1CCN(c2nsc3ccccc23)CC1)c1cnc2ccccn12
InChIKey: YXPPQEAUYCKYSO-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 84 nM (pChEMBL 7.079999923706055)
Descriptors: MW 456.6, ALogP 2.43, HBA 8, HBD 1, PSA 82.84, QED 0.43
Compound (SMILES): O=S(=O)(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1cnc2ccccn12
InChIKey: IWCRACLNBWLIAL-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 140 nM (pChEMBL 6.849999904632568)
Descriptors: MW 470.62, ALogP 2.82, HBA 8, HBD 1, PSA 82.84, QED 0.4
Compound (SMILES): O=S(=O)(NCCCN1CCN(c2nsc3ccccc23)CC1)c1cccc2scnc12
InChIKey: SCCJGBCCPYUPOB-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 27 nM (pChEMBL 7.570000171661377)
Descriptors: MW 473.65, ALogP 3.4, HBA 8, HBD 1, PSA 78.43, QED 0.41
Compound (SMILES): O=S(=O)(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1cccc2scnc12
InChIKey: YQHLZLIFZLFKSH-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 120 nM (pChEMBL 6.920000076293945)
Descriptors: MW 487.68, ALogP 3.79, HBA 8, HBD 1, PSA 78.43, QED 0.38
Compound (SMILES): Cc1cccc(S(=O)(=O)NCCCN2CCN(c3noc4ccccc34)CC2)c1
InChIKey: NYRDAOIKGSCMQF-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 1500 nM (pChEMBL 5.820000171661377)
Descriptors: MW 414.53, ALogP 2.63, HBA 6, HBD 1, PSA 78.68, QED 0.6
Compound (SMILES): Cc1cccc(S(=O)(=O)NCCCCN2CCN(c3noc4ccccc34)CC2)c1
InChIKey: UGKBAMPEXOAPEC-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 87 nM (pChEMBL 7.059999942779541)
Descriptors: MW 428.56, ALogP 3.02, HBA 6, HBD 1, PSA 78.68, QED 0.56
Compound (SMILES): O=S(=O)(NCCCN1CCN(c2noc3ccccc23)CC1)c1ccc(Cl)c(Cl)c1
InChIKey: OEUUOVONAQZIBE-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 1100 nM (pChEMBL 5.960000038146973)
Descriptors: MW 469.39, ALogP 3.63, HBA 6, HBD 1, PSA 78.68, QED 0.53
Compound (SMILES): O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1ccc(Cl)c(Cl)c1
InChIKey: ZWISNUUPDBRYSY-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 29 nM (pChEMBL 7.539999961853027)
Descriptors: MW 483.42, ALogP 4.02, HBA 6, HBD 1, PSA 78.68, QED 0.49
Compound (SMILES): O=S(=O)(NCCCN1CCN(c2noc3ccccc23)CC1)c1ccc(F)c(Cl)c1
InChIKey: WPDFUYMLDBHNAG-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 330 nM (pChEMBL 6.480000019073486)
Descriptors: MW 452.94, ALogP 3.11, HBA 6, HBD 1, PSA 78.68, QED 0.55
Compound (SMILES): O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1ccc(F)c(Cl)c1
InChIKey: RHNJWNWKMNDAAR-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 27 nM (pChEMBL 7.570000171661377)
Descriptors: MW 466.97, ALogP 3.5, HBA 6, HBD 1, PSA 78.68, QED 0.51
Compound (SMILES): O=S(=O)(NCCCN1CCN(c2noc3ccccc23)CC1)c1ccc(OC(F)(F)F)cc1
InChIKey: MOXRKUZTWOCHHC-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 2200 nM (pChEMBL 5.659999847412109)
Descriptors: MW 484.5, ALogP 3.22, HBA 7, HBD 1, PSA 87.91, QED 0.49
Compound (SMILES): O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1ccc(OC(F)(F)F)cc1
InChIKey: XCQOYNXZUPVYAF-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 4800 nM (pChEMBL 5.320000171661377)
Descriptors: MW 498.53, ALogP 3.61, HBA 7, HBD 1, PSA 87.91, QED 0.45
Compound (SMILES): O=S(=O)(NCCCN1CCN(c2noc3ccccc23)CC1)c1cccs1
InChIKey: VIYCCCHLLWDXDN-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 406.53, ALogP 2.38, HBA 7, HBD 1, PSA 78.68, QED 0.61
Compound (SMILES): O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1cccs1
InChIKey: QOUKQMLUTNKYNS-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 5200 nM (pChEMBL 5.28000020980835)
Descriptors: MW 420.56, ALogP 2.77, HBA 7, HBD 1, PSA 78.68, QED 0.56
Compound (SMILES): O=S(=O)(NCCCN1CCN(c2noc3ccccc23)CC1)c1ccc2ccccc2c1
InChIKey: CJGUBEHBJWODAS-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 1600 nM (pChEMBL 5.800000190734863)
Descriptors: MW 450.56, ALogP 3.47, HBA 6, HBD 1, PSA 78.68, QED 0.43
Compound (SMILES): O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1ccc2ccccc2c1
InChIKey: YKTBDLSRILDSHB-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 6.2 nM (pChEMBL 8.210000038146973)
Descriptors: MW 464.59, ALogP 3.86, HBA 6, HBD 1, PSA 78.68, QED 0.4
Compound (SMILES): O=S(=O)(NCCCN1CCN(c2noc3ccccc23)CC1)c1ccc2cc(Cl)ccc2c1
InChIKey: JRESDQOKKZYZGG-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 2300 nM (pChEMBL 5.639999866485596)
Descriptors: MW 485.01, ALogP 4.13, HBA 6, HBD 1, PSA 78.68, QED 0.4
Compound (SMILES): O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1ccc2cc(Cl)ccc2c1
InChIKey: OYNMVCMJTOXTRN-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 18 nM (pChEMBL 7.75)
Descriptors: MW 499.04, ALogP 4.52, HBA 6, HBD 1, PSA 78.68, QED 0.36
Compound (SMILES): O=S(=O)(NCCCN1CCN(c2noc3ccccc23)CC1)c1cc2ccccc2s1
InChIKey: DCFQCUAMUNSALM-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 35 nM (pChEMBL 7.460000038146973)
Descriptors: MW 456.59, ALogP 3.53, HBA 7, HBD 1, PSA 78.68, QED 0.43
Compound (SMILES): O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1cc2ccccc2s1
InChIKey: JYPDEXJCUSDKRF-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 1100 nM (pChEMBL 5.960000038146973)
Descriptors: MW 470.62, ALogP 3.92, HBA 7, HBD 1, PSA 78.68, QED 0.39
Compound (SMILES): O=S(=O)(NCCCN1CCN(c2noc3ccccc23)CC1)c1cc2ccc(Cl)cc2s1
InChIKey: UYSWWUHGOKVFCN-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 560 nM (pChEMBL 6.25)
Descriptors: MW 491.04, ALogP 4.19, HBA 7, HBD 1, PSA 78.68, QED 0.39
Compound (SMILES): O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1cc2ccc(Cl)cc2s1
InChIKey: HVNIAEADLPQYLQ-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 46 nM (pChEMBL 7.340000152587891)
Descriptors: MW 505.07, ALogP 4.58, HBA 7, HBD 1, PSA 78.68, QED 0.35
Compound (SMILES): Cc1c(S(=O)(=O)NCCCN2CCN(c3noc4ccccc34)CC2)sc2ccc(F)cc12
InChIKey: ILLBBUJFUQIJOT-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 488.61, ALogP 3.98, HBA 7, HBD 1, PSA 78.68, QED 0.4
Compound (SMILES): Cc1c(S(=O)(=O)NCCCCN2CCN(c3noc4ccccc34)CC2)sc2ccc(F)cc12
InChIKey: RJBZCOQIWDMFST-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 17 nM (pChEMBL 7.769999980926514)
Descriptors: MW 502.64, ALogP 4.37, HBA 7, HBD 1, PSA 78.68, QED 0.36
Compound (SMILES): O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1cnc2ccccn12
InChIKey: KGQVGHYBVLHORN-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 95 nM (pChEMBL 7.019999980926514)
Descriptors: MW 454.56, ALogP 2.36, HBA 8, HBD 1, PSA 95.98, QED 0.41
Compound (SMILES): O=S(=O)(NCCCN1CCN(c2noc3ccccc23)CC1)c1cccc2scnc12
InChIKey: DIXICAHJOXMZSL-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 457.58, ALogP 2.93, HBA 8, HBD 1, PSA 91.57, QED 0.43
Compound (SMILES): O=S(=O)(NCCCCN1CCN(c2noc3ccccc23)CC1)c1cccc2scnc12
InChIKey: KJUKPXSKIBFZAX-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 471.61, ALogP 3.32, HBA 8, HBD 1, PSA 91.57, QED 0.39
Compound (SMILES): Cc1cccc(S(=O)(=O)NCCN2CCC(c3noc4cc(F)ccc34)CC2)c1
InChIKey: KJWQBYGNNGUYBM-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 210 nM (pChEMBL 6.679999828338623)
Descriptors: MW 417.51, ALogP 3.43, HBA 5, HBD 1, PSA 75.44, QED 0.67
Compound (SMILES): Cc1cccc(S(=O)(=O)NCCCN2CCC(c3noc4cc(F)ccc34)CC2)c1
InChIKey: YFKQSGLMKFTUJN-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 13 nM (pChEMBL 7.889999866485596)
Descriptors: MW 431.53, ALogP 3.82, HBA 5, HBD 1, PSA 75.44, QED 0.58
Compound (SMILES): Cc1cccc(S(=O)(=O)NCCCCN2CCC(c3noc4cc(F)ccc34)CC2)c1
InChIKey: BPVLKJSAFIGBKX-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 140 nM (pChEMBL 6.849999904632568)
Descriptors: MW 445.56, ALogP 4.21, HBA 5, HBD 1, PSA 75.44, QED 0.53
Compound (SMILES): O=S(=O)(NCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc(Cl)c(Cl)c1
InChIKey: WASWXYVTAUBCDE-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 7.1 nM (pChEMBL 8.149999618530273)
Descriptors: MW 486.4, ALogP 4.82, HBA 5, HBD 1, PSA 75.44, QED 0.48
Compound (SMILES): O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc(Cl)c(Cl)c1
InChIKey: BOERTKKBWLOLLH-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
Measurement: Ki = 26 nM (pChEMBL 7.579999923706055)
Descriptors: MW 500.42, ALogP 5.21, HBA 5, HBD 1, PSA 75.44, QED 0.43