lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)C1CCOC1
InChIKey: YNWOVSGFFVVSBU-UQTQIZBZSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 609.5 nM (pChEMBL 6.210000038146973)
Descriptors: MW 428.58, ALogP 2.24, HBA 6, HBD 1, PSA 66.93, QED 0.75
Compound (SMILES): O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)C1CCCO1
InChIKey: HZQQJAKATKCPDP-DDDLIOIYSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 6.3 nM (pChEMBL 8.199999809265137)
Descriptors: MW 428.58, ALogP 2.38, HBA 6, HBD 1, PSA 66.93, QED 0.75
Compound (SMILES): O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccccc1
InChIKey: HAABSCYMCZRVTB-AQYVVDRMSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 7.63 nM (pChEMBL 8.119999885559082)
Descriptors: MW 434.58, ALogP 3.52, HBA 5, HBD 1, PSA 57.7, QED 0.75
Compound (SMILES): O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc(F)cc1
InChIKey: HQAMJNKOXUQUKS-XYWHTSSQSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 341.9 nM (pChEMBL 6.46999979019165)
Descriptors: MW 452.57, ALogP 3.66, HBA 5, HBD 1, PSA 57.7, QED 0.73
Compound (SMILES): O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc(Cl)cc1
InChIKey: HMAKCCQMRGCRHO-XYWHTSSQSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 14.8 nM (pChEMBL 7.829999923706055)
Descriptors: MW 469.03, ALogP 4.17, HBA 5, HBD 1, PSA 57.7, QED 0.69
Compound (SMILES): O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc(C(F)(F)F)cc1
InChIKey: JVTXPXRMOCVEDH-XYWHTSSQSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 871.2 nM (pChEMBL 6.059999942779541)
Descriptors: MW 502.58, ALogP 4.54, HBA 5, HBD 1, PSA 57.7, QED 0.63
Compound (SMILES): CS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1
InChIKey: ILSVAZDAOVUDJJ-QAQDUYKDSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 1269.5 nM (pChEMBL 5.900000095367432)
Descriptors: MW 408.57, ALogP 1.64, HBA 6, HBD 1, PSA 74.77, QED 0.77
Compound (SMILES): CCS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1
InChIKey: HFJVMFBCUWJLFO-IYARVYRRSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 17.6 nM (pChEMBL 7.75)
Descriptors: MW 422.6, ALogP 2.03, HBA 6, HBD 1, PSA 74.77, QED 0.72
Compound (SMILES): O=S(=O)(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc(F)cc1
InChIKey: OXMLHENURKVGGZ-XUTJKUGGSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 240 nM (pChEMBL 6.619999885559082)
Descriptors: MW 488.63, ALogP 3.21, HBA 6, HBD 1, PSA 74.77, QED 0.65
Compound (SMILES): O=C(CC1CC1)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1
InChIKey: XPKWZBRQMHEAAX-KESTWPANSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 586.8 nM (pChEMBL 6.230000019073486)
Descriptors: MW 412.58, ALogP 3, HBA 5, HBD 1, PSA 57.7, QED 0.75
Compound (SMILES): O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)C1CCC1
InChIKey: IUHXMQOKDMHFCT-KESTWPANSA-N
Target: D(3) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35462
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 15.7 nM (pChEMBL 7.800000190734863)
Descriptors: MW 412.58, ALogP 3, HBA 5, HBD 1, PSA 57.7, QED 0.78
Compound (SMILES): O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)C1CCCOC1
InChIKey: RBGONAOLWTWGIH-HBCBNPTOSA-N
Target: D(3) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35462
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 28.8 nM (pChEMBL 7.539999961853027)
Descriptors: MW 442.6, ALogP 2.63, HBA 6, HBD 1, PSA 66.93, QED 0.73
Compound (SMILES): C[C@]1(O)CC[C@H](C(=O)N[C@H]2CC[C@H](CCN3CCN(c4nccc5c4CCO5)CC3)CC2)CC1
InChIKey: XLIXPJRYIUCZIQ-IYQCHBLZSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 12.6 nM (pChEMBL 7.900000095367432)
Descriptors: MW 470.66, ALogP 3.14, HBA 6, HBD 2, PSA 77.93, QED 0.67
Compound (SMILES): C[C@]1(O)CC[C@@H](C(=O)N[C@H]2CC[C@H](CCN3CCN(c4nccc5c4CCO5)CC3)CC2)CC1
InChIKey: XLIXPJRYIUCZIQ-HUULMPCJSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 6.14 nM (pChEMBL 8.210000038146973)
Descriptors: MW 470.66, ALogP 3.14, HBA 6, HBD 2, PSA 77.93, QED 0.67
Compound (SMILES): O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc(N2CCCCC2)cc1
InChIKey: UBLOWVVYFMMWMS-YOCNBXQISA-N
Target: D(3) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35462
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 44.3 nM (pChEMBL 7.349999904632568)
Descriptors: MW 517.72, ALogP 4.51, HBA 6, HBD 1, PSA 60.94, QED 0.58
Compound (SMILES): O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc(N2CCOCC2)cc1
InChIKey: WVPMAZJVALETCI-ALOJWSFFSA-N
Target: D(3) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35462
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 16.9 nM (pChEMBL 7.769999980926514)
Descriptors: MW 519.69, ALogP 3.35, HBA 7, HBD 1, PSA 70.17, QED 0.6
Compound (SMILES): O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)C1(O)CC1
InChIKey: CKAFITNCAHORFQ-IYARVYRRSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 5.92 nM (pChEMBL 8.229999542236328)
Descriptors: MW 414.55, ALogP 1.73, HBA 6, HBD 2, PSA 77.93, QED 0.74
Compound (SMILES): N#CCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1
InChIKey: AZQFGKSDCVQAHH-IYARVYRRSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 702.5 nM (pChEMBL 6.150000095367432)
Descriptors: MW 397.52, ALogP 2.12, HBA 6, HBD 1, PSA 81.49, QED 0.79
Compound (SMILES): O=C(CC(F)(F)F)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1
InChIKey: KAEYIPLTXHGZRS-QAQDUYKDSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 440.51, ALogP 3.16, HBA 5, HBD 1, PSA 57.7, QED 0.74
Compound (SMILES): O=C(C[C@@H]1COCCO1)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1
InChIKey: YGCYKAKZEZYUMC-NJDAHSKKSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 11.8 nM (pChEMBL 7.929999828338623)
Descriptors: MW 458.6, ALogP 2.01, HBA 7, HBD 1, PSA 76.16, QED 0.67
Compound (SMILES): O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccnc2ccccc12
InChIKey: MVNMMDGTQIXAJK-HZCBDIJESA-N
Target: D(3) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35462
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 10.7 nM (pChEMBL 7.96999979019165)
Descriptors: MW 485.63, ALogP 4.07, HBA 6, HBD 1, PSA 70.59, QED 0.57
Compound (SMILES): O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)C1CC1
InChIKey: OUMNETVFYOWILO-UAPYVXQJSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 485.6 nM (pChEMBL 6.309999942779541)
Descriptors: MW 398.55, ALogP 2.61, HBA 5, HBD 1, PSA 57.7, QED 0.8
Compound (SMILES): O=C(CC1CCCO1)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1
InChIKey: SAWRNBNIFPXPCC-YGQOYYDZSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 1262.8 nM (pChEMBL 5.900000095367432)
Descriptors: MW 442.6, ALogP 2.77, HBA 6, HBD 1, PSA 66.93, QED 0.7
Compound (SMILES): CO[C@H]1CC[C@H](CC(=O)N[C@H]2CC[C@H](CCN3CCN(c4nccc5c4CCO5)CC3)CC2)CC1
InChIKey: JCPOEWYYYWHNCO-ZWGSZDQZSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 2451.9 nM (pChEMBL 5.610000133514404)
Descriptors: MW 484.69, ALogP 3.8, HBA 6, HBD 1, PSA 66.93, QED 0.61
Compound (SMILES): CN(C)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1
InChIKey: CKOUWIPOSAPIGS-IYARVYRRSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 11.5 nM (pChEMBL 7.940000057220459)
Descriptors: MW 437.61, ALogP 1.48, HBA 6, HBD 1, PSA 78.01, QED 0.7
Compound (SMILES): O=C(C[C@H]1COCCO1)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1
InChIKey: YGCYKAKZEZYUMC-ACRUOGEOSA-N
Target: D(3) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35462
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 24.3 nM (pChEMBL 7.610000133514404)
Descriptors: MW 458.6, ALogP 2.01, HBA 7, HBD 1, PSA 76.16, QED 0.67
Compound (SMILES): O=C(C[C@H]1CCCO1)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1
InChIKey: SAWRNBNIFPXPCC-NJDAHSKKSA-N
Target: D(3) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35462
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 27.1 nM (pChEMBL 7.570000171661377)
Descriptors: MW 442.6, ALogP 2.77, HBA 6, HBD 1, PSA 66.93, QED 0.7
Compound (SMILES): O=C(C[C@@H]1CCCO1)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1
InChIKey: SAWRNBNIFPXPCC-ACRUOGEOSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 857.9 nM (pChEMBL 6.070000171661377)
Descriptors: MW 442.6, ALogP 2.77, HBA 6, HBD 1, PSA 66.93, QED 0.7
Compound (SMILES): CC(C)(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1
InChIKey: IHNAEAHWHZVEJK-WGSAOQKQSA-N
Target: D(3) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35462
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 59.2 nM (pChEMBL 7.230000019073486)
Descriptors: MW 414.59, ALogP 3.25, HBA 5, HBD 1, PSA 57.7, QED 0.8
Compound (SMILES): CC(C)CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1
InChIKey: FORAQSMKEXXBJZ-MXVIHJGJSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 654.8 nM (pChEMBL 6.179999828338623)
Descriptors: MW 414.59, ALogP 3.25, HBA 5, HBD 1, PSA 57.7, QED 0.74
Compound (SMILES): CC(C)(C)CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1
InChIKey: DQVWGUUNHWMPMS-MXVIHJGJSA-N
Target: D(3) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35462
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 17 nM (pChEMBL 7.769999980926514)
Descriptors: MW 428.62, ALogP 3.64, HBA 5, HBD 1, PSA 57.7, QED 0.75
Compound (SMILES): O=C(CC1CCC1)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1
InChIKey: HRGLDIJXNKMLQF-XUTJKUGGSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 602.7 nM (pChEMBL 6.21999979019165)
Descriptors: MW 426.61, ALogP 3.39, HBA 5, HBD 1, PSA 57.7, QED 0.72
Compound (SMILES): O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)C1CC1(F)F
InChIKey: YFHWGBZGWDWNRV-JHNFVTJISA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 438.3 nM (pChEMBL 6.360000133514404)
Descriptors: MW 434.53, ALogP 2.86, HBA 5, HBD 1, PSA 57.7, QED 0.75
Compound (SMILES): CC(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1
InChIKey: HGDNRYBOAYQHNG-WGSAOQKQSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 10.2 nM (pChEMBL 7.989999771118164)
Descriptors: MW 400.57, ALogP 2.86, HBA 5, HBD 1, PSA 57.7, QED 0.8
Compound (SMILES): CCC(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1
InChIKey: JPVBGGFMPCPVDU-JUUMZCOKSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 709.4 nM (pChEMBL 6.150000095367432)
Descriptors: MW 414.59, ALogP 3.25, HBA 5, HBD 1, PSA 57.7, QED 0.74
Compound (SMILES): O=C(CC1COC1)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1
InChIKey: KPWFNAZMRFBRMI-KESTWPANSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 428.58, ALogP 2.24, HBA 6, HBD 1, PSA 66.93, QED 0.72
Compound (SMILES): CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1
InChIKey: UVEHFXJWIQCNDD-IYARVYRRSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 322.5 nM (pChEMBL 6.489999771118164)
Descriptors: MW 401.56, ALogP 2.36, HBA 5, HBD 1, PSA 60.94, QED 0.82
Compound (SMILES): O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)C(F)(F)F
InChIKey: SUGHICCAJLONJR-WKILWMFISA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 773.3 nM (pChEMBL 6.110000133514404)
Descriptors: MW 426.48, ALogP 2.77, HBA 5, HBD 1, PSA 57.7, QED 0.78
Compound (SMILES): CC(C)=CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1
InChIKey: NBKJTOGTVMGTOS-MXVIHJGJSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 16.2 nM (pChEMBL 7.789999961853027)
Descriptors: MW 412.58, ALogP 3.17, HBA 5, HBD 1, PSA 57.7, QED 0.73
Compound (SMILES): C/C=C/CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1
InChIKey: KZWUXBIYAIXWII-MRGVAMFXSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 22.8 nM (pChEMBL 7.639999866485596)
Descriptors: MW 412.58, ALogP 3.17, HBA 5, HBD 1, PSA 57.7, QED 0.7
Compound (SMILES): CC#CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1
InChIKey: XDPTVFIWUAWOLA-WGSAOQKQSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 12.2 nM (pChEMBL 7.909999847412109)
Descriptors: MW 396.54, ALogP 2.23, HBA 5, HBD 1, PSA 57.7, QED 0.77
Compound (SMILES): O=CN[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1
InChIKey: ABHVAQKOVOLZPM-QAQDUYKDSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 23.5 nM (pChEMBL 7.630000114440918)
Descriptors: MW 358.49, ALogP 1.83, HBA 5, HBD 1, PSA 57.7, QED 0.79
Compound (SMILES): Cc1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCN(c4nccc5c4CCO5)CC3)CC2)on1
InChIKey: ZPEAQOHSKIPYKV-MXVIHJGJSA-N
Target: D(3) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35462
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 4.01 nM (pChEMBL 8.399999618530273)
Descriptors: MW 453.59, ALogP 2.74, HBA 7, HBD 1, PSA 83.73, QED 0.69
Compound (SMILES): CN(C)C(=O)CCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1
InChIKey: GXVCWWLYAQAZCU-MXVIHJGJSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 2562.7 nM (pChEMBL 5.590000152587891)
Descriptors: MW 457.62, ALogP 2.07, HBA 6, HBD 1, PSA 78.01, QED 0.64
Compound (SMILES): CC(C)(O)CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1
InChIKey: KLTVYCHNHMTZNG-WGSAOQKQSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 25 nM (pChEMBL 7.599999904632568)
Descriptors: MW 430.59, ALogP 2.36, HBA 6, HBD 2, PSA 77.93, QED 0.69
Compound (SMILES): O=C(C[C@@H](O)C(F)(F)F)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1
InChIKey: CTMBSXSNFDPMFG-MBOZVWFJSA-N
Target: D(3) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35462
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 19.7 nM (pChEMBL 7.710000038146973)
Descriptors: MW 470.54, ALogP 2.52, HBA 6, HBD 2, PSA 77.93, QED 0.64
Compound (SMILES): CC[C@H](O)CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1
InChIKey: JBVSQYZVCXMFCI-UFYCRDLUSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 887.4 nM (pChEMBL 6.050000190734863)
Descriptors: MW 430.59, ALogP 2.36, HBA 6, HBD 2, PSA 77.93, QED 0.66
Compound (SMILES): CO[C@H]1CC[C@H](CC(=O)N[C@H]2CC[C@H](CCN3CCN(c4nccc5c4CCO5)CC3)CC2)C1
InChIKey: DQTBCNRIVXHDQE-MLCQCVOFSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 1291.7 nM (pChEMBL 5.889999866485596)
Descriptors: MW 470.66, ALogP 3.41, HBA 6, HBD 1, PSA 66.93, QED 0.63
Compound (SMILES): O=C(CC1C[C@H](O)CO1)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1
InChIKey: XIVALFSMOKTRNY-AVJWEPTDSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 22.5 nM (pChEMBL 7.650000095367432)
Descriptors: MW 458.6, ALogP 1.74, HBA 7, HBD 2, PSA 87.16, QED 0.64
Compound (SMILES): CCCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1
InChIKey: ABKVEMFUXMVUSG-WGSAOQKQSA-N
Target: D(3) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35462
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 15.4 nM (pChEMBL 7.809999942779541)
Descriptors: MW 400.57, ALogP 3, HBA 5, HBD 1, PSA 57.7, QED 0.76
Compound (SMILES): CC(C)CCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1
InChIKey: VMDGNXGFFZHOON-MEMLXQNLSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 1277.1 nM (pChEMBL 5.889999866485596)
Descriptors: MW 428.62, ALogP 3.64, HBA 5, HBD 1, PSA 57.7, QED 0.69
Compound (SMILES): CCCCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1
InChIKey: QVISYVCUOQJANU-MXVIHJGJSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 1143.6 nM (pChEMBL 5.940000057220459)
Descriptors: MW 414.59, ALogP 3.39, HBA 5, HBD 1, PSA 57.7, QED 0.71
Compound (SMILES): O=C(CCC(F)(F)F)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1
InChIKey: QDQDDWWAKHSCSK-IYARVYRRSA-N
Target: D(3) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35462
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 20 nM (pChEMBL 7.699999809265137)
Descriptors: MW 454.54, ALogP 3.55, HBA 5, HBD 1, PSA 57.7, QED 0.68
Compound (SMILES): CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nc(C)cc4occc34)CC2)CC1
InChIKey: QGKIQQCQAJMJNK-WGSAOQKQSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 248.8 nM (pChEMBL 6.599999904632568)
Descriptors: MW 384.52, ALogP 3.34, HBA 5, HBD 1, PSA 61.61, QED 0.86
Compound (SMILES): Cc1cc2occc2c(N2CCN(CC[C@H]3CC[C@H](NC(=O)C4CCOCC4)CC3)CC2)n1
InChIKey: GRSPAVQNQLAIED-AQYVVDRMSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 274.6 nM (pChEMBL 6.559999942779541)
Descriptors: MW 454.62, ALogP 3.75, HBA 6, HBD 1, PSA 70.84, QED 0.72
Compound (SMILES): COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nc(C)cc4occc34)CC2)CC1
InChIKey: PVAIEWDYRNQJFR-MXVIHJGJSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 86.9 nM (pChEMBL 7.059999942779541)
Descriptors: MW 428.58, ALogP 3.36, HBA 6, HBD 1, PSA 70.84, QED 0.7
Compound (SMILES): CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nc(C)cc4c3CCO4)CC2)CC1
InChIKey: VLMVFBMJXRVZOG-WGSAOQKQSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 915 nM (pChEMBL 6.039999961853027)
Descriptors: MW 386.54, ALogP 2.53, HBA 5, HBD 1, PSA 57.7, QED 0.84
Compound (SMILES): Cc1cc2c(c(N3CCN(CC[C@H]4CC[C@H](NC(=O)C5CCOCC5)CC4)CC3)n1)CCO2
InChIKey: ITNGDGJSTGEEEQ-AQYVVDRMSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 1950 nM (pChEMBL 5.710000038146973)
Descriptors: MW 456.63, ALogP 2.94, HBA 6, HBD 1, PSA 66.93, QED 0.71
Compound (SMILES): Cc1cc2c(c(N3CCN(CC[C@H]4CC[C@H](NC(=O)CC5CCOCC5)CC4)CC3)n1)CCO2
InChIKey: QGUAUKGVRXXHQV-AFARHQOCSA-N
Target: D(3) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35462
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 18.7 nM (pChEMBL 7.730000019073486)
Descriptors: MW 470.66, ALogP 3.33, HBA 6, HBD 1, PSA 66.93, QED 0.66
Compound (SMILES): COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nc(C)cc4c3CCO4)CC2)CC1
InChIKey: RCSLPJAWSBFTLD-MXVIHJGJSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 255 nM (pChEMBL 6.590000152587891)
Descriptors: MW 430.59, ALogP 2.55, HBA 6, HBD 1, PSA 66.93, QED 0.68
Compound (SMILES): CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3ncc(C)c4occc34)CC2)CC1
InChIKey: ALJNGMYHXPZTTG-WGSAOQKQSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 1461 nM (pChEMBL 5.829999923706055)
Descriptors: MW 384.52, ALogP 3.34, HBA 5, HBD 1, PSA 61.61, QED 0.86
Compound (SMILES): Cc1cnc(N2CCN(CC[C@H]3CC[C@H](NC(=O)C4CCOCC4)CC3)CC2)c2ccoc12
InChIKey: XZKJWFNUAUOHAC-AQYVVDRMSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 1126 nM (pChEMBL 5.949999809265137)
Descriptors: MW 454.62, ALogP 3.75, HBA 6, HBD 1, PSA 70.84, QED 0.72
Compound (SMILES): Cc1cnc(N2CCN(CC[C@H]3CC[C@H](NC(=O)CC4CCOCC4)CC3)CC2)c2ccoc12
InChIKey: JTMYPGNBDACXLP-AFARHQOCSA-N
Target: D(3) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35462
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 38 nM (pChEMBL 7.420000076293945)
Descriptors: MW 468.64, ALogP 4.14, HBA 6, HBD 1, PSA 70.84, QED 0.66
Compound (SMILES): COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3ncc(C)c4occc34)CC2)CC1
InChIKey: XPRRZXPFKHAHFH-MXVIHJGJSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 428.58, ALogP 3.36, HBA 6, HBD 1, PSA 70.84, QED 0.7
Compound (SMILES): CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3ncc(C)c4c3CCO4)CC2)CC1
InChIKey: ACEAZRLEPRIAMD-WGSAOQKQSA-N
Target: D(3) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35462
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 48.2 nM (pChEMBL 7.320000171661377)
Descriptors: MW 386.54, ALogP 2.53, HBA 5, HBD 1, PSA 57.7, QED 0.84
Compound (SMILES): Cc1cnc(N2CCN(CC[C@H]3CC[C@H](NC(=O)C4CCOCC4)CC3)CC2)c2c1OCC2
InChIKey: KMPUTTSRRTYIRY-AQYVVDRMSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 19.7 nM (pChEMBL 7.710000038146973)
Descriptors: MW 456.63, ALogP 2.94, HBA 6, HBD 1, PSA 66.93, QED 0.71
Compound (SMILES): Cc1cnc(N2CCN(CC[C@H]3CC[C@H](NC(=O)CC4CCOCC4)CC3)CC2)c2c1OCC2
InChIKey: ADDORVGWJJXKFK-AFARHQOCSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 2951 nM (pChEMBL 5.53000020980835)
Descriptors: MW 470.66, ALogP 3.33, HBA 6, HBD 1, PSA 66.93, QED 0.66
Compound (SMILES): COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3ncc(C)c4c3CCO4)CC2)CC1
InChIKey: OZUAEHNGHNUWOV-MXVIHJGJSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 37 nM (pChEMBL 7.429999828338623)
Descriptors: MW 430.59, ALogP 2.55, HBA 6, HBD 1, PSA 66.93, QED 0.68
Compound (SMILES): O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)C(O)C(F)(F)F
InChIKey: PMYFBYDQSGEVHT-DBTMUERSSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 11.4 nM (pChEMBL 7.940000057220459)
Descriptors: MW 456.51, ALogP 2.13, HBA 6, HBD 2, PSA 77.93, QED 0.68
Compound (SMILES): COC(CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)OC
InChIKey: AVYIORKUKBQLOA-WGSAOQKQSA-N
Target: D(3) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35462
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 19.3 nM (pChEMBL 7.710000038146973)
Descriptors: MW 446.59, ALogP 2.21, HBA 7, HBD 1, PSA 76.16, QED 0.58
Compound (SMILES): COC(CCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)OC
InChIKey: LIWZXUWAEHOPHY-MXVIHJGJSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 18.1 nM (pChEMBL 7.739999771118164)
Descriptors: MW 460.62, ALogP 2.6, HBA 7, HBD 1, PSA 76.16, QED 0.54
Compound (SMILES): CS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[C@H](CCN3CCN(c4nccc5c4CCO5)CC3)CC2)s1
InChIKey: HWZBTMUYGJHELF-WGSAOQKQSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 9.46 nM (pChEMBL 8.020000457763672)
Descriptors: MW 518.71, ALogP 2.98, HBA 8, HBD 1, PSA 91.84, QED 0.6
Compound (SMILES): Cc1ccc(C(=O)N[C@H]2CC[C@H](CCN3CCN(c4nccc5c4CCO5)CC3)CC2)cn1
InChIKey: UNPARBQWWULNRE-AQYVVDRMSA-N
Target: D(3) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35462
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 52.1 nM (pChEMBL 7.28000020980835)
Descriptors: MW 449.6, ALogP 3.22, HBA 6, HBD 1, PSA 70.59, QED 0.73
Compound (SMILES): N#Cc1ccc(C(=O)N[C@H]2CC[C@H](CCN3CCN(c4nccc5c4CCO5)CC3)CC2)cc1
InChIKey: MHYHDPMWTXPZLG-JKIUYZKVSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 381.2 nM (pChEMBL 6.420000076293945)
Descriptors: MW 459.59, ALogP 3.39, HBA 6, HBD 1, PSA 81.49, QED 0.71
Compound (SMILES): CN1CCN(c2ccc(C(=O)N[C@H]3CC[C@H](CCN4CCN(c5nccc6c5CCO6)CC4)CC3)cc2)CC1
InChIKey: FNDLZQGZKLRGIU-YOCNBXQISA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 4.51 nM (pChEMBL 8.350000381469727)
Descriptors: MW 532.73, ALogP 3.27, HBA 7, HBD 1, PSA 64.18, QED 0.59
Compound (SMILES): O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc(N2CCOCC2)nc1
InChIKey: SWYRWYLIJXJVNV-HCGLCNNCSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 998.4 nM (pChEMBL 6)
Descriptors: MW 520.68, ALogP 2.75, HBA 8, HBD 1, PSA 83.06, QED 0.6
Compound (SMILES): O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc(-c2cccnc2)cc1
InChIKey: SBHJIEDINHIMAF-JIBACQESSA-N
Target: D(3) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35462
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 16.1 nM (pChEMBL 7.789999961853027)
Descriptors: MW 511.67, ALogP 4.58, HBA 6, HBD 1, PSA 70.59, QED 0.5
Compound (SMILES): O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc2c(c1)OCO2
InChIKey: CEMWPWPBXGCHCV-XUTJKUGGSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 17.6 nM (pChEMBL 7.75)
Descriptors: MW 478.59, ALogP 3.25, HBA 7, HBD 1, PSA 76.16, QED 0.68
Compound (SMILES): O=C(Cc1ccc2c(c1)OCO2)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1
InChIKey: ONAUJHKYHSJWDK-AQYVVDRMSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 3042 nM (pChEMBL 5.519999980926514)
Descriptors: MW 492.62, ALogP 3.18, HBA 7, HBD 1, PSA 76.16, QED 0.64
Compound (SMILES): O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)C1(O)CCC1
InChIKey: WPDISOIHGGRFRZ-WGSAOQKQSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 9.8 nM (pChEMBL 8.010000228881836)
Descriptors: MW 428.58, ALogP 2.12, HBA 6, HBD 2, PSA 77.93, QED 0.72
Compound (SMILES): CC(C)(O)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1
InChIKey: ZATCCWHVTMAUCE-IYARVYRRSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 1265 nM (pChEMBL 5.900000095367432)
Descriptors: MW 416.57, ALogP 1.97, HBA 6, HBD 2, PSA 77.93, QED 0.74
Compound (SMILES): O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc(N2CCS(=O)(=O)CC2)cc1
InChIKey: JUAVLXRBQKTSPW-ALOJWSFFSA-N
Target: D(3) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35462
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 14.4 nM (pChEMBL 7.840000152587891)
Descriptors: MW 567.76, ALogP 2.75, HBA 8, HBD 1, PSA 95.08, QED 0.55
Compound (SMILES): O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc(-n2cccn2)cc1
InChIKey: BNGQWOSQOPVKCC-HCGLCNNCSA-N
Target: D(3) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35462
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 44.3 nM (pChEMBL 7.349999904632568)
Descriptors: MW 500.65, ALogP 3.7, HBA 7, HBD 1, PSA 75.52, QED 0.53
Compound (SMILES): Cc1nc(-c2cccc(C(=O)N[C@H]3CC[C@H](CCN4CCN(c5nccc6c5CCO6)CC4)CC3)c2)no1
InChIKey: DZYJECJNISMMEC-SAIGFBBZSA-N
Target: D(3) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35462
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 19.5 nM (pChEMBL 7.710000038146973)
Descriptors: MW 516.65, ALogP 3.88, HBA 8, HBD 1, PSA 96.62, QED 0.51
Compound (SMILES): O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc2ncccc2c1
InChIKey: ATHCQCSSVYPJIN-SAIGFBBZSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 23.2 nM (pChEMBL 7.630000114440918)
Descriptors: MW 485.63, ALogP 4.07, HBA 6, HBD 1, PSA 70.59, QED 0.57
Compound (SMILES): O=C(Cc1noc2ccccc12)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1
InChIKey: MWMCOQFLGVOAHE-MEMLXQNLSA-N
Target: D(3) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35462
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 14.9 nM (pChEMBL 7.829999923706055)
Descriptors: MW 489.62, ALogP 3.59, HBA 7, HBD 1, PSA 83.73, QED 0.54
Compound (SMILES): O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1cnc(N2CCOCC2)cn1
InChIKey: MTJDLXLLSRKTMU-HZCBDIJESA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 506 nM (pChEMBL 6.300000190734863)
Descriptors: MW 521.67, ALogP 2.14, HBA 9, HBD 1, PSA 95.95, QED 0.59
Compound (SMILES): CC(C)(C)c1ccc(C(=O)N[C@H]2CC[C@H](CCN3CCN(c4nccc5c4CCO5)CC3)CC2)cc1
InChIKey: ZZJDFRAENYUPMH-RZFKFIIISA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 66.7 nM (pChEMBL 7.179999828338623)
Descriptors: MW 490.69, ALogP 4.81, HBA 5, HBD 1, PSA 57.7, QED 0.63
Compound (SMILES): O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc(Cl)cc1Cl
InChIKey: KVMPVICKYUXJEP-KESTWPANSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 518.3 nM (pChEMBL 6.289999961853027)
Descriptors: MW 503.47, ALogP 4.82, HBA 5, HBD 1, PSA 57.7, QED 0.61
Compound (SMILES): O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc(-n2cccc2)cc1
InChIKey: HIUMOAWWYUAXFP-ALOJWSFFSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 163.3 nM (pChEMBL 6.789999961853027)
Descriptors: MW 499.66, ALogP 4.31, HBA 6, HBD 1, PSA 62.63, QED 0.53
Compound (SMILES): O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc(-c2ccccc2)cc1
InChIKey: ZQZUTJSBLPRYPL-XBTDCMMSSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Radioligand Binding Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
Measurement: Ki = 1132 nM (pChEMBL 5.949999809265137)
Descriptors: MW 510.68, ALogP 5.18, HBA 5, HBD 1, PSA 57.7, QED 0.47