lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nnc4n3-c3ccccc3Nc3ccccc3-4)cc2)CC1
InChIKey: HCIOGOLEBGXDRR-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 940 nM (pChEMBL 6.03000020980835)
Descriptors: MW 539.64, ALogP 6.14, HBA 7, HBD 2, PSA 83.77, QED 0.28
Compound (SMILES): c1ccc(-c2nnc(C3CCN(Cc4ccc(-c5nnc6n5-c5ccccc5Nc5ccccc5-6)cc4)CC3)[nH]2)nc1
InChIKey: QCXQSBCEUROTJK-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 250 nM (pChEMBL 6.599999904632568)
Descriptors: MW 551.66, ALogP 6.22, HBA 8, HBD 2, PSA 100.44, QED 0.26
Compound (SMILES): [C-]#[N+]c1ccc(C(=O)NC2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1
InChIKey: RUUPNZWUOHJCEB-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 1700 nM (pChEMBL 5.769999980926514)
Descriptors: MW 552.64, ALogP 6, HBA 7, HBD 2, PSA 92.33, QED 0.26
Compound (SMILES): c1ccc2c(c1)Nc1ncccc1-n1c(-c3ccc(CN4CCC(c5nnc(-c6ccncc6)[nH]5)CC4)cc3)nnc1-2
InChIKey: FJCWCPHHVCAGJJ-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 170 nM (pChEMBL 6.769999980926514)
Descriptors: MW 552.65, ALogP 5.61, HBA 9, HBD 2, PSA 113.33, QED 0.28
Compound (SMILES): O=C(c1ccc(F)cc1)N1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1
InChIKey: VXCXGJXDHCZFND-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 3200 nM (pChEMBL 5.5)
Descriptors: MW 531.6, ALogP 5.15, HBA 7, HBD 1, PSA 79.18, QED 0.34
Compound (SMILES): O=C(C1CCCC1)N1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1
InChIKey: IZXUNKAVQFQTOV-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 3400 nM (pChEMBL 5.46999979019165)
Descriptors: MW 505.63, ALogP 4.89, HBA 7, HBD 1, PSA 79.18, QED 0.37
Compound (SMILES): COc1ccccc1C(=O)N1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1
InChIKey: LRRMBXULUVDIRA-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 430 nM (pChEMBL 6.369999885559082)
Descriptors: MW 543.63, ALogP 5.02, HBA 8, HBD 1, PSA 88.41, QED 0.33
Compound (SMILES): O=C(CCc1ccccc1)N1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1
InChIKey: PEGNWIIAMHQWBE-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 3400 nM (pChEMBL 5.46999979019165)
Descriptors: MW 541.66, ALogP 5.33, HBA 7, HBD 1, PSA 79.18, QED 0.31
Compound (SMILES): Cc1cccc(C(=O)N2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)c1
InChIKey: WBXXAZPNWLKLJB-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 1300 nM (pChEMBL 5.889999866485596)
Descriptors: MW 527.63, ALogP 5.32, HBA 7, HBD 1, PSA 79.18, QED 0.33
Compound (SMILES): COc1ccc(C(=O)N2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1
InChIKey: DXUZWDHSHVHRLP-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 1400 nM (pChEMBL 5.849999904632568)
Descriptors: MW 543.63, ALogP 5.02, HBA 8, HBD 1, PSA 88.41, QED 0.33
Compound (SMILES): COc1cccc(C(=O)N2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)c1
InChIKey: VMEJRJQSGOUSGN-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 2200 nM (pChEMBL 5.659999847412109)
Descriptors: MW 543.63, ALogP 5.02, HBA 8, HBD 1, PSA 88.41, QED 0.33
Compound (SMILES): [C-]#[N+]c1ccc(C(=O)N2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1
InChIKey: QCILIJCSIGOYNO-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 990 nM (pChEMBL 6)
Descriptors: MW 538.62, ALogP 5.56, HBA 7, HBD 1, PSA 83.54, QED 0.3
Compound (SMILES): O=C(Cc1ccccc1)N1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1
InChIKey: XTQWBTSQFAQQQQ-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 6000 nM (pChEMBL 5.21999979019165)
Descriptors: MW 527.63, ALogP 4.94, HBA 7, HBD 1, PSA 79.18, QED 0.34
Compound (SMILES): O=C(c1ccccc1F)N1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1
InChIKey: BLQSUHFLNAPJIC-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 450 nM (pChEMBL 6.349999904632568)
Descriptors: MW 531.6, ALogP 5.15, HBA 7, HBD 1, PSA 79.18, QED 0.34
Compound (SMILES): Cc1cc(C(=O)N2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)no1
InChIKey: MZQWAKJVNYXEPG-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 2900 nM (pChEMBL 5.539999961853027)
Descriptors: MW 518.58, ALogP 4.31, HBA 9, HBD 1, PSA 105.21, QED 0.37
Compound (SMILES): O=C(c1ccc(F)c(F)c1)N1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1
InChIKey: NFUXJCUXTYVYDI-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 4900 nM (pChEMBL 5.309999942779541)
Descriptors: MW 549.59, ALogP 5.29, HBA 7, HBD 1, PSA 79.18, QED 0.32
Compound (SMILES): O=C(c1ccccc1)N1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1
InChIKey: KGSRPKDNXHYJES-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 1900 nM (pChEMBL 5.71999979019165)
Descriptors: MW 513.61, ALogP 5.01, HBA 7, HBD 1, PSA 79.18, QED 0.36
Compound (SMILES): COC(=O)c1sccc1S(=O)(=O)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1
InChIKey: IPOMQFKSRKWRFO-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 790 nM (pChEMBL 6.099999904632568)
Descriptors: MW 627.75, ALogP 4.84, HBA 11, HBD 2, PSA 131.34, QED 0.24
Compound (SMILES): Cc1noc(C)c1S(=O)(=O)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1
InChIKey: FNSLAJGDRDCPBK-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 6800 nM (pChEMBL 5.170000076293945)
Descriptors: MW 582.69, ALogP 4.6, HBA 10, HBD 2, PSA 131.07, QED 0.29
Compound (SMILES): O=S(=O)(NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1)c1ccccc1F
InChIKey: WFQJAKYCRXLZDE-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 2300 nM (pChEMBL 5.639999866485596)
Descriptors: MW 581.68, ALogP 5.14, HBA 8, HBD 2, PSA 105.04, QED 0.28
Compound (SMILES): O=S(=O)(CC1CCCCC1)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1
InChIKey: VVJBKHWQBSHHTE-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 3400 nM (pChEMBL 5.46999979019165)
Descriptors: MW 583.76, ALogP 5.52, HBA 8, HBD 2, PSA 105.04, QED 0.26
Compound (SMILES): O=S(=O)(NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1)C1CC1
InChIKey: GBXFQCYPAMPFHO-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 5300 nM (pChEMBL 5.28000020980835)
Descriptors: MW 527.65, ALogP 4.1, HBA 8, HBD 2, PSA 105.04, QED 0.34
Compound (SMILES): COc1cccc(S(=O)(=O)NC2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)c1
InChIKey: LPRUTFONNQWESG-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 3000 nM (pChEMBL 5.519999980926514)
Descriptors: MW 593.71, ALogP 5, HBA 9, HBD 2, PSA 114.27, QED 0.27
Compound (SMILES): CC(=O)Nc1ccc(S(=O)(=O)NC2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1
InChIKey: UJYJYCOMACPPJS-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 5000 nM (pChEMBL 5.300000190734863)
Descriptors: MW 620.74, ALogP 4.95, HBA 9, HBD 3, PSA 134.14, QED 0.23
Compound (SMILES): O=S(=O)(Cc1ccccc1)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1
InChIKey: HYXRXIYFWJEHPO-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 1800 nM (pChEMBL 5.75)
Descriptors: MW 577.71, ALogP 5.14, HBA 8, HBD 2, PSA 105.04, QED 0.27
Compound (SMILES): Cc1nc(C)c(S(=O)(=O)NC2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)s1
InChIKey: TTZHLPKPXHCBLJ-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 5300 nM (pChEMBL 5.28000020980835)
Descriptors: MW 598.76, ALogP 5.07, HBA 10, HBD 2, PSA 117.93, QED 0.27
Compound (SMILES): CC(C)CS(=O)(=O)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1
InChIKey: FUMKLKRMWDGWEZ-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 6400 nM (pChEMBL 5.190000057220459)
Descriptors: MW 543.7, ALogP 4.59, HBA 8, HBD 2, PSA 105.04, QED 0.31
Compound (SMILES): CC(=O)c1ccc(S(=O)(=O)NC2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1
InChIKey: MFIITRQUHPBFOR-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 3400 nM (pChEMBL 5.46999979019165)
Descriptors: MW 605.72, ALogP 5.2, HBA 9, HBD 2, PSA 122.11, QED 0.24
Compound (SMILES): O=S(=O)(NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1)c1ccc2c(c1)OCCO2
InChIKey: APJRQHYPFKVIGN-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 2000 nM (pChEMBL 5.699999809265137)
Descriptors: MW 621.72, ALogP 4.77, HBA 10, HBD 2, PSA 123.5, QED 0.27
Compound (SMILES): O=S(=O)(NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1)c1cccc(F)c1
InChIKey: QVOTVSNEZOXVAG-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 2700 nM (pChEMBL 5.570000171661377)
Descriptors: MW 581.68, ALogP 5.14, HBA 8, HBD 2, PSA 105.04, QED 0.28
Compound (SMILES): O=C(c1ccc2c(c1)OCO2)N1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1
InChIKey: SFMJHEPPWBWXSS-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 6900 nM (pChEMBL 5.159999847412109)
Descriptors: MW 557.61, ALogP 4.74, HBA 9, HBD 1, PSA 97.64, QED 0.33
Compound (SMILES): [C-]#[N+]c1cccc(C(=O)N2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)c1
InChIKey: DQYBYJWDNGTPCE-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 2000 nM (pChEMBL 5.699999809265137)
Descriptors: MW 538.62, ALogP 5.56, HBA 7, HBD 1, PSA 83.54, QED 0.3
Compound (SMILES): Cc1ccc(C(=O)N2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1
InChIKey: CRXSRUXOUVBKDH-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 3000 nM (pChEMBL 5.519999980926514)
Descriptors: MW 527.63, ALogP 5.32, HBA 7, HBD 1, PSA 79.18, QED 0.33
Compound (SMILES): O=C(c1ccccn1)N1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1
InChIKey: CEEKFVQFPNNUFM-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 4200 nM (pChEMBL 5.380000114440918)
Descriptors: MW 514.59, ALogP 4.41, HBA 8, HBD 1, PSA 92.07, QED 0.37
Compound (SMILES): O=C1NCN(c2ccccc2)C12CCN(Cc1ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc1)CC2
InChIKey: BEENNMRVJKBFIT-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 950 nM (pChEMBL 6.019999980926514)
Descriptors: MW 554.66, ALogP 4.98, HBA 8, HBD 2, PSA 91.21, QED 0.32
Compound (SMILES): [C-]#[N+]C1(c2ccccc2)CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1
InChIKey: ZHSVNUAQCSGKSK-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 7300 nM (pChEMBL 5.139999866485596)
Descriptors: MW 509.62, ALogP 6.46, HBA 6, HBD 1, PSA 63.23, QED 0.28
Compound (SMILES): O=C(c1ccc(F)cc1)C1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1
InChIKey: GOHJPBQSZBLARX-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 1800 nM (pChEMBL 5.75)
Descriptors: MW 530.61, ALogP 6.29, HBA 7, HBD 1, PSA 75.94, QED 0.26
Compound (SMILES): O=C(Nc1ccc(F)cc1)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1
InChIKey: MGXIGLLTWMPQBT-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 330 nM (pChEMBL 6.480000019073486)
Descriptors: MW 560.64, ALogP 5.98, HBA 7, HBD 3, PSA 100, QED 0.24
Compound (SMILES): COc1ccc(C)cc1NC(=O)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1
InChIKey: FJHSVNICEATDNX-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 720 nM (pChEMBL 6.139999866485596)
Descriptors: MW 586.7, ALogP 6.16, HBA 8, HBD 3, PSA 109.23, QED 0.21
Compound (SMILES): O=C(Nc1ccccc1F)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1
InChIKey: ZMIDWLHXCHSSLD-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 440 nM (pChEMBL 6.360000133514404)
Descriptors: MW 560.64, ALogP 5.98, HBA 7, HBD 3, PSA 100, QED 0.24
Compound (SMILES): Cc1ccc(NC(=O)NC2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1
InChIKey: CFPZCRGUKQYLCR-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 440 nM (pChEMBL 6.360000133514404)
Descriptors: MW 556.67, ALogP 6.15, HBA 7, HBD 3, PSA 100, QED 0.24
Compound (SMILES): COc1ccc(CCNC(=O)NC2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1OC
InChIKey: PQZRUNJGCQQRNT-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 6000 nM (pChEMBL 5.21999979019165)
Descriptors: MW 630.75, ALogP 5.58, HBA 9, HBD 3, PSA 118.46, QED 0.19
Compound (SMILES): Cc1cccc(NC(=O)NC2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)c1
InChIKey: JOFMDOINPOMIBP-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 660 nM (pChEMBL 6.179999828338623)
Descriptors: MW 556.67, ALogP 6.15, HBA 7, HBD 3, PSA 100, QED 0.24
Compound (SMILES): COc1cccc(CNC(=O)NC2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)c1
InChIKey: JBFYEVKDKQOVNR-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 780 nM (pChEMBL 6.110000133514404)
Descriptors: MW 586.7, ALogP 5.53, HBA 8, HBD 3, PSA 109.23, QED 0.23
Compound (SMILES): COc1ccc(NC(=O)NC2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1Cl
InChIKey: KIGUEMCTKTYNPR-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 1200 nM (pChEMBL 5.920000076293945)
Descriptors: MW 607.12, ALogP 6.5, HBA 8, HBD 3, PSA 109.23, QED 0.2
Compound (SMILES): O=C(NCc1ccccc1Cl)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1
InChIKey: GTKGYNGMNYAUOK-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 910 nM (pChEMBL 6.039999961853027)
Descriptors: MW 591.12, ALogP 6.17, HBA 7, HBD 3, PSA 100, QED 0.21
Compound (SMILES): O=C(Nc1cccc(C(F)(F)F)c1)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1
InChIKey: PZPLNOQYOFMMHL-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 630 nM (pChEMBL 6.199999809265137)
Descriptors: MW 610.64, ALogP 6.86, HBA 7, HBD 3, PSA 100, QED 0.2
Compound (SMILES): O=C(Nc1ccc2c(c1)CCO2)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1
InChIKey: LXHXJDAIKHQLDZ-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 530 nM (pChEMBL 6.28000020980835)
Descriptors: MW 584.68, ALogP 5.77, HBA 8, HBD 3, PSA 109.23, QED 0.24
Compound (SMILES): O=C(Nc1cccc(Cl)c1)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1
InChIKey: WXZMWRDFSOFCHR-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 1200 nM (pChEMBL 5.920000076293945)
Descriptors: MW 577.09, ALogP 6.49, HBA 7, HBD 3, PSA 100, QED 0.22
Compound (SMILES): CCCc1ccccc1NC(=O)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1
InChIKey: OOCXBJPTLMRNHD-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 770 nM (pChEMBL 6.110000133514404)
Descriptors: MW 584.73, ALogP 6.79, HBA 7, HBD 3, PSA 100, QED 0.19
Compound (SMILES): O=C(Nc1cccc(F)c1)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1
InChIKey: ZZQVEWCNZOVNBP-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 790 nM (pChEMBL 6.099999904632568)
Descriptors: MW 560.64, ALogP 5.98, HBA 7, HBD 3, PSA 100, QED 0.24
Compound (SMILES): Cc1ccccc1NC(=O)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1
InChIKey: PJKCWSWJFKLOHB-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 700 nM (pChEMBL 6.159999847412109)
Descriptors: MW 556.67, ALogP 6.15, HBA 7, HBD 3, PSA 100, QED 0.24
Compound (SMILES): O=C(NCCc1ccc(Cl)cc1)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1
InChIKey: HZXDABRCRGDJRG-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 940 nM (pChEMBL 6.03000020980835)
Descriptors: MW 605.15, ALogP 6.21, HBA 7, HBD 3, PSA 100, QED 0.2
Compound (SMILES): Cc1ccccc1CNC(=O)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1
InChIKey: FVFCAAHUOULLAC-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 1200 nM (pChEMBL 5.920000076293945)
Descriptors: MW 570.7, ALogP 5.83, HBA 7, HBD 3, PSA 100, QED 0.23
Compound (SMILES): O=C(NCCc1cccs1)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1
InChIKey: MWOQSYNNLOPPDD-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 750 nM (pChEMBL 6.119999885559082)
Descriptors: MW 576.73, ALogP 5.62, HBA 8, HBD 3, PSA 100, QED 0.23
Compound (SMILES): COc1ccccc1NC(=O)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1
InChIKey: XDNUOJKCZLHVBJ-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 700 nM (pChEMBL 6.159999847412109)
Descriptors: MW 572.67, ALogP 5.85, HBA 8, HBD 3, PSA 109.23, QED 0.23
Compound (SMILES): COc1ccc(NC(=O)NC2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)c(C)c1
InChIKey: ZDQCCGMQIAPXKQ-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 840 nM (pChEMBL 6.079999923706055)
Descriptors: MW 586.7, ALogP 6.16, HBA 8, HBD 3, PSA 109.23, QED 0.21
Compound (SMILES): Cc1cc(COCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)no1
InChIKey: GNKUPACZMLXALH-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 2100 nM (pChEMBL 5.679999828338623)
Descriptors: MW 436.48, ALogP 5.07, HBA 8, HBD 1, PSA 90.89, QED 0.4
Compound (SMILES): c1ccc(-n2cc(COCc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)nn2)cc1
InChIKey: CPTFINJXVBRPQD-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 490 nM (pChEMBL 6.309999942779541)
Descriptors: MW 498.55, ALogP 5.35, HBA 9, HBD 1, PSA 95.57, QED 0.33
Compound (SMILES): c1ccc2c(c1)Nc1ncccc1-n1c(-c3ccc(CN4CCC(c5c[nH]c6ccccc56)CC4)cc3)nnc1-2
InChIKey: YYUWCOPBCNKXLK-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 523.64, ALogP 6.91, HBA 6, HBD 2, PSA 74.66, QED 0.26
Compound (SMILES): c1ccc(OC2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1
InChIKey: HYLMVHQORSHMJX-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 830 nM (pChEMBL 6.079999923706055)
Descriptors: MW 500.61, ALogP 6.1, HBA 7, HBD 1, PSA 68.1, QED 0.31
Compound (SMILES): c1ccc(OC2CCCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)C2)cc1
InChIKey: PHHDDLBCGRGYOL-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 920 nM (pChEMBL 6.039999961853027)
Descriptors: MW 500.61, ALogP 6.1, HBA 7, HBD 1, PSA 68.1, QED 0.31
Compound (SMILES): Cc1noc(C2CCCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)C2)n1
InChIKey: LUADSLHUJVKFQV-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 410 nM (pChEMBL 6.389999866485596)
Descriptors: MW 490.57, ALogP 5.12, HBA 9, HBD 1, PSA 97.79, QED 0.36
Compound (SMILES): O=c1[nH]c(-c2ccccc2)cn1C1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1
InChIKey: NZFMRJDCQKXRIG-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 48 nM (pChEMBL 7.320000171661377)
Descriptors: MW 566.67, ALogP 6.05, HBA 8, HBD 2, PSA 96.66, QED 0.26
Compound (SMILES): CC(C)(N)c1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1
InChIKey: BVMOIUVSHIOEBE-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 340 nM (pChEMBL 6.46999979019165)
Descriptors: MW 368.44, ALogP 4.25, HBA 6, HBD 2, PSA 81.65, QED 0.49
Compound (SMILES): O=C(NC1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCC1)c1ccccc1
InChIKey: FFNUKCXNOVGOCE-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 73 nM (pChEMBL 7.139999866485596)
Descriptors: MW 484.56, ALogP 5.86, HBA 6, HBD 2, PSA 84.73, QED 0.33
Compound (SMILES): O=C(Nc1ccccc1)NC1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCC1
InChIKey: DWMSBFHBHMORKE-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 1200 nM (pChEMBL 5.920000076293945)
Descriptors: MW 499.58, ALogP 6.25, HBA 6, HBD 3, PSA 96.76, QED 0.27
Compound (SMILES): O=S(=O)(NC1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCC1)c1ccccc1
InChIKey: FHRYVTMIRFAASO-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 280 nM (pChEMBL 6.550000190734863)
Descriptors: MW 520.62, ALogP 5.41, HBA 7, HBD 2, PSA 101.8, QED 0.32
Compound (SMILES): c1ccc2c(c1)Nc1ncccc1-n1c(-c3ccc(C4CCCN4)cc3)nnc1-2
InChIKey: GTGZEZDRKRIFBO-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 1100 nM (pChEMBL 5.960000038146973)
Descriptors: MW 380.46, ALogP 4.48, HBA 6, HBD 2, PSA 67.66, QED 0.47
Compound (SMILES): CC(C)(C)OC(=O)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1
InChIKey: ITWFYXDYDCDHKY-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 1900 nM (pChEMBL 5.71999979019165)
Descriptors: MW 523.64, ALogP 5.54, HBA 8, HBD 2, PSA 97.2, QED 0.32
Compound (SMILES): Fc1ccc2c(CCNCc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)c[nH]c2c1
InChIKey: ZIUMRABKQLXBDE-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 210 nM (pChEMBL 6.679999828338623)
Descriptors: MW 501.57, ALogP 6.01, HBA 6, HBD 3, PSA 83.45, QED 0.24
Compound (SMILES): Clc1ccc2nc(CCNCc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)[nH]c2c1
InChIKey: HIMCWBMLZSYSQQ-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 150 nM (pChEMBL 6.820000171661377)
Descriptors: MW 519.01, ALogP 5.92, HBA 7, HBD 3, PSA 96.34, QED 0.24
Compound (SMILES): c1ccc(-c2nnc(C3CCN(Cc4ccc(-c5nnc6n5-c5cccnc5Nc5ccccc5-6)cc4)CC3)o2)cc1
InChIKey: AQDALWAVCROEPV-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 660 nM (pChEMBL 6.179999828338623)
Descriptors: MW 552.64, ALogP 6.48, HBA 9, HBD 1, PSA 97.79, QED 0.26
Compound (SMILES): CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1
InChIKey: JMPRDJFYASOJOJ-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using CisBio KinEASE HTRF Assay technology.
Measurement: IC50 = 41000 nM (pChEMBL 4.389999866485596)
Descriptors: MW 523.6, ALogP 4.75, HBA 8, HBD 1, PSA 105.48, QED 0.36
Compound (SMILES): O=C(c1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)N1CCNCC1
InChIKey: NYOTYZDMCSKKGE-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using CisBio KinEASE HTRF Assay technology.
Measurement: IC50 = 17000 nM (pChEMBL 4.769999980926514)
Descriptors: MW 423.48, ALogP 3.1, HBA 7, HBD 2, PSA 87.97, QED 0.45
Compound (SMILES): CC(C)(C)OC(=O)NC1CCN(C(=O)c2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1
InChIKey: PWUJOVGCCCFJMW-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using CisBio KinEASE HTRF Assay technology.
Measurement: IC50 = 56000 nM (pChEMBL 4.25)
Descriptors: MW 537.62, ALogP 5.18, HBA 8, HBD 2, PSA 114.27, QED 0.33
Compound (SMILES): NC1CCN(C(=O)c2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1
InChIKey: GVURCZNLSCEFOY-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using CisBio KinEASE HTRF Assay technology.
Measurement: IC50 = 70000 nM (pChEMBL 4.159999847412109)
Descriptors: MW 437.51, ALogP 3.62, HBA 7, HBD 2, PSA 101.96, QED 0.44
Compound (SMILES): CC(C)(C)OC(=O)NCCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1
InChIKey: IRWGPPQCQDRPPY-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using CisBio KinEASE HTRF Assay technology.
Measurement: IC50 = 4300 nM (pChEMBL 5.369999885559082)
Descriptors: MW 454.53, ALogP 5.12, HBA 7, HBD 2, PSA 93.96, QED 0.39
Compound (SMILES): CC(C)(C)OC(=O)NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1
InChIKey: AXXASHNBTQXLGP-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using CisBio KinEASE HTRF Assay technology.
Measurement: IC50 = 14000 nM (pChEMBL 4.849999904632568)
Descriptors: MW 440.51, ALogP 5.08, HBA 7, HBD 2, PSA 93.96, QED 0.41
Compound (SMILES): NCCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1
InChIKey: FLBLMFADJFKKIP-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using CisBio KinEASE HTRF Assay technology.
Measurement: IC50 = 14000 nM (pChEMBL 4.849999904632568)
Descriptors: MW 354.42, ALogP 3.55, HBA 6, HBD 2, PSA 81.65, QED 0.52
Compound (SMILES): COc1cccc(C(=O)NC2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)c1
InChIKey: OATAUDKPSYOYAH-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using CisBio KinEASE HTRF Assay technology.
Measurement: IC50 = 7600 nM (pChEMBL 5.119999885559082)
Descriptors: MW 557.66, ALogP 5.46, HBA 8, HBD 2, PSA 97.2, QED 0.28
Compound (SMILES): Cc1ccc2c(c1)-c1nnc(-c3ccc(C4(N)CCC4)cc3)n1-c1cccnc1N2
InChIKey: GVTATTDEXZWFAG-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 960 nM (pChEMBL 6.019999980926514)
Descriptors: MW 394.48, ALogP 4.7, HBA 6, HBD 2, PSA 81.65, QED 0.45
Compound (SMILES): NC1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCCCC1
InChIKey: IHWLDWKJPPQBMW-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 408.51, ALogP 5.17, HBA 6, HBD 2, PSA 81.65, QED 0.42
Compound (SMILES): Cc1cccc2c1Nc1ncccc1-n1c(-c3ccc(C4(N)CCC4)cc3)nnc1-2
InChIKey: CCSSOGZYUAOOGU-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 1400 nM (pChEMBL 5.849999904632568)
Descriptors: MW 394.48, ALogP 4.7, HBA 6, HBD 2, PSA 81.65, QED 0.45
Compound (SMILES): NC1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccc(Br)cc3-4)cc2)CCC1
InChIKey: XZNDWUDXBMHLSN-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 130 nM (pChEMBL 6.889999866485596)
Descriptors: MW 459.35, ALogP 5.15, HBA 6, HBD 2, PSA 81.65, QED 0.38
Compound (SMILES): NC1(c2ccc(-c3nnc4n3-c3cnccc3Nc3ccccc3-4)cc2)CCC1
InChIKey: DUIRMLZULOYAAI-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 5000 nM (pChEMBL 5.300000190734863)
Descriptors: MW 380.46, ALogP 4.39, HBA 6, HBD 2, PSA 81.65, QED 0.47
Compound (SMILES): CC(C)(C)OC(=O)NC1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1
InChIKey: GKKVSIJQEVVYKL-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 1400 nM (pChEMBL 5.849999904632568)
Descriptors: MW 466.55, ALogP 5.57, HBA 7, HBD 2, PSA 93.96, QED 0.36
Compound (SMILES): NC1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1
InChIKey: RMFVLDWWNOARPU-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 140 nM (pChEMBL 6.849999904632568)
Descriptors: MW 366.43, ALogP 4, HBA 6, HBD 2, PSA 81.65, QED 0.49
Compound (SMILES): Cc1ccc2c(c1)Nc1ncccc1-n1c(-c3ccc(C4(N)CCC4)cc3)nnc1-2
InChIKey: JPIAEVVYYNNACB-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 490 nM (pChEMBL 6.309999942779541)
Descriptors: MW 394.48, ALogP 4.7, HBA 6, HBD 2, PSA 81.65, QED 0.45
Compound (SMILES): NC1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccc(-c5ccccc5)cc3-4)cc2)CCC1
InChIKey: OEKYIKCMNCPKJE-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 1200 nM (pChEMBL 5.920000076293945)
Descriptors: MW 456.55, ALogP 6.06, HBA 6, HBD 2, PSA 81.65, QED 0.34
Compound (SMILES): OCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccc(Br)cc2-3)cc1
InChIKey: MQURKQFMQHPPER-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 5200 nM (pChEMBL 5.28000020980835)
Descriptors: MW 420.27, ALogP 4.31, HBA 6, HBD 2, PSA 75.86, QED 0.45
Compound (SMILES): NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccc(Br)cc2-3)cc1
InChIKey: PBLWURBUULSHAI-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 6100 nM (pChEMBL 5.210000038146973)
Descriptors: MW 419.29, ALogP 4.27, HBA 6, HBD 2, PSA 81.65, QED 0.45
Compound (SMILES): Brc1ccc2c(c1)-c1nnc(-c3ccc(CN4CCC(c5nnc(-c6ccccn6)[nH]5)CC4)cc3)n1-c1cccnc1N2
InChIKey: MSXLHWBXRFPWGL-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 96 nM (pChEMBL 7.019999980926514)
Descriptors: MW 631.54, ALogP 6.38, HBA 9, HBD 2, PSA 113.33, QED 0.23
Compound (SMILES): c1ccc(CCNC2(c3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CCC2)cc1
InChIKey: VUIUIXLSBSIFKY-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 3800 nM (pChEMBL 5.420000076293945)
Descriptors: MW 484.61, ALogP 6.26, HBA 6, HBD 2, PSA 67.66, QED 0.29
Compound (SMILES): NC1(c2ccc(-c3nnc4n3-c3cc(-c5ccccc5)cnc3Nc3ccccc3-4)cc2)CCC1
InChIKey: SXPIEJHMGPTGLZ-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 2600 nM (pChEMBL 5.579999923706055)
Descriptors: MW 456.55, ALogP 6.06, HBA 6, HBD 2, PSA 81.65, QED 0.34
Compound (SMILES): COc1ncccc1C1c2c(n[nH]c2C(C)(C)CO)C(=O)N1c1ccc(-c2ccco2)cc1
InChIKey: SKWLIVLURVOKAK-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 91 nM (pChEMBL 7.039999961853027)
Descriptors: MW 444.49, ALogP 4.09, HBA 6, HBD 2, PSA 104.48, QED 0.46
Compound (SMILES): CC(C)(C)c1[nH]nc2c1C(c1ccccc1S(C)(=O)=O)N(c1ccc(-c3ccon3)cc1)C2=O
InChIKey: YCKZWNVBHPDDDZ-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 389 nM (pChEMBL 6.409999847412109)
Descriptors: MW 476.56, ALogP 4.52, HBA 6, HBD 1, PSA 109.16, QED 0.46
Compound (SMILES): CC(C)(C)c1[nH]nc2c1C(c1ccccc1CO)N(c1ccc(-c3ccon3)cc1)C2=O
InChIKey: AXBYIFMRGRWDOZ-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 838 nM (pChEMBL 6.079999923706055)
Descriptors: MW 428.49, ALogP 4.6, HBA 5, HBD 2, PSA 95.25, QED 0.5
Compound (SMILES): COCCOc1ccccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2cccs2)cc1
InChIKey: CNPCVPBUMBNFJT-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 487.63, ALogP 6.21, HBA 5, HBD 1, PSA 67.45, QED 0.31
Compound (SMILES): COCCOc1ccccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccsc2)cc1
InChIKey: QAMBHHJUAKBDON-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 487.63, ALogP 6.21, HBA 5, HBD 1, PSA 67.45, QED 0.31
Compound (SMILES): COc1ccc(-c2n[nH]c3c2C(c2ccccc2OCCO)N(c2nc4cc(OC)ccc4s2)C3=O)cc1
InChIKey: IYTYWVOUFWKUAK-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 348 nM (pChEMBL 6.460000038146973)
Descriptors: MW 528.59, ALogP 4.82, HBA 8, HBD 2, PSA 109.8, QED 0.3
Compound (SMILES): COc1ccc(-c2n[nH]c3c2C(c2ccccc2OCCO)N(c2nc4ccc(OC)cc4s2)C3=O)cc1
InChIKey: UPKKEMWTPBCPJG-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 429 nM (pChEMBL 6.369999885559082)
Descriptors: MW 528.59, ALogP 4.82, HBA 8, HBD 2, PSA 109.8, QED 0.3
Compound (SMILES): CN(C)c1ccccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccon2)cc1
InChIKey: IUILRNVCPMSUEG-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 137 nM (pChEMBL 6.860000133514404)
Descriptors: MW 441.54, ALogP 5.18, HBA 5, HBD 1, PSA 78.26, QED 0.47
Compound (SMILES): Cc1ncccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2cccs2)cc1
InChIKey: ZVPBSAWVQXYSJT-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 464 nM (pChEMBL 6.329999923706055)
Descriptors: MW 428.56, ALogP 5.89, HBA 4, HBD 1, PSA 61.88, QED 0.44
Compound (SMILES): Cc1ncccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccsc2)cc1
InChIKey: APAMFMKKIZBEKY-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 431 nM (pChEMBL 6.369999885559082)
Descriptors: MW 428.56, ALogP 5.89, HBA 4, HBD 1, PSA 61.88, QED 0.44