lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): Cn1c2c(c3cc(S(=O)(=O)n4ccc5ccc(F)cc54)ccc31)C1CCC(C2)N1
InChIKey: LJWJHWJGSWSNNT-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Binding Assay: The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity assay (SPA) format.
Measurement: Ki = 0.59 nM (pChEMBL 9.229999542236328)
Descriptors: MW 409.49, ALogP 3.86, HBA 5, HBD 1, PSA 56.03, QED 0.55
Compound (SMILES): COc1ccc2c(ccn2S(=O)(=O)c2ccc3c(c2)c2c(n3C)CC3CCC2N3)c1
InChIKey: WGFSLPFYDPNSCW-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Binding Assay: The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity assay (SPA) format.
Measurement: Ki = 18 nM (pChEMBL 7.75)
Descriptors: MW 421.52, ALogP 3.73, HBA 6, HBD 1, PSA 65.26, QED 0.55
Compound (SMILES): Cn1c2c(c3cc(S(=O)(=O)n4cc(Cl)c5ccccc54)ccc31)C1CCC(C2)N1
InChIKey: GOIHVVZDKAUYPZ-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Binding Assay: The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity assay (SPA) format.
Measurement: Ki = 4.1 nM (pChEMBL 8.390000343322754)
Descriptors: MW 425.94, ALogP 4.37, HBA 5, HBD 1, PSA 56.03, QED 0.52
Compound (SMILES): Cc1cn(S(=O)(=O)c2ccc3c(c2)c2c(n3C)CC3CCC2N3)c2ccccc12
InChIKey: LZGIKPSDNVRPPX-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Binding Assay: The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity assay (SPA) format.
Measurement: Ki = 1.2 nM (pChEMBL 8.920000076293945)
Descriptors: MW 405.52, ALogP 4.03, HBA 5, HBD 1, PSA 56.03, QED 0.55
Compound (SMILES): CN1C2CCC1c1c(n(C)c3ccc(S(=O)(=O)c4ccsc4)cc13)C2
InChIKey: SMOFOLADDUHJJG-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Binding Assay: The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity assay (SPA) format.
Measurement: Ki = 8.2 nM (pChEMBL 8.09000015258789)
Descriptors: MW 372.52, ALogP 3.76, HBA 5, HBD 0, PSA 42.31, QED 0.69
Compound (SMILES): Cc1cc(S(=O)(=O)c2ccccc2)cc2c3c(n(C)c12)CC1CCC3N1
InChIKey: SAAYANRXFINIFL-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Binding Assay: The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity assay (SPA) format.
Measurement: Ki = 3.3 nM (pChEMBL 8.479999542236328)
Descriptors: MW 366.49, ALogP 3.67, HBA 4, HBD 1, PSA 51.1, QED 0.75
Compound (SMILES): Cc1cc(S(=O)(=O)c2cccc(F)c2)cc2c3c(n(C)c12)CC1CCC3N1
InChIKey: GKOMHLYJPFTOLR-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Binding Assay: The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity assay (SPA) format.
Measurement: Ki = 8.1 nM (pChEMBL 8.09000015258789)
Descriptors: MW 384.48, ALogP 3.81, HBA 4, HBD 1, PSA 51.1, QED 0.73
Compound (SMILES): Cc1cc(S(=O)(=O)c2cccc(Cl)c2)cc2c3c(n(C)c12)CC1CCC3N1
InChIKey: BOTJUSZAYZXPQS-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Binding Assay: The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity assay (SPA) format.
Measurement: Ki = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 400.93, ALogP 4.32, HBA 4, HBD 1, PSA 51.1, QED 0.7
Compound (SMILES): Cc1cccc(S(=O)(=O)c2cc(C)c3c(c2)c2c(n3C)CC3CCC2N3)c1
InChIKey: ZTANITNJUZBGRV-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Binding Assay: The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity assay (SPA) format.
Measurement: Ki = 7.1 nM (pChEMBL 8.149999618530273)
Descriptors: MW 380.51, ALogP 3.98, HBA 4, HBD 1, PSA 51.1, QED 0.73
Compound (SMILES): Cc1cc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cc2c3c(n(C)c12)CC1CCC3N1
InChIKey: LDIPOPQRBYIHGD-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Binding Assay: The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity assay (SPA) format.
Measurement: Ki = 3.6 nM (pChEMBL 8.4399995803833)
Descriptors: MW 434.48, ALogP 4.69, HBA 4, HBD 1, PSA 51.1, QED 0.64
Compound (SMILES): Cc1cc(S(=O)(=O)c2cccc(OC(F)(F)F)c2)cc2c3c(n(C)c12)CC1CCC3N1
InChIKey: WOIUNXWLAHJGPB-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Binding Assay: The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity assay (SPA) format.
Measurement: Ki = 6.9 nM (pChEMBL 8.15999984741211)
Descriptors: MW 450.48, ALogP 4.57, HBA 5, HBD 1, PSA 60.33, QED 0.64
Compound (SMILES): Cc1cc(S(=O)(=O)c2ccc(N)cc2)cc2c3c(n(C)c12)CC1CCC3N1
InChIKey: DMYYRYKPLPEGAQ-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Binding Assay: The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity assay (SPA) format.
Measurement: Ki = 4.9 nM (pChEMBL 8.3100004196167)
Descriptors: MW 381.5, ALogP 3.25, HBA 5, HBD 2, PSA 77.12, QED 0.67
Compound (SMILES): Cc1cc(S(=O)(=O)c2cncnc2)cc2c3c(n(C)c12)CC1CCC3N1
InChIKey: WGGZUNOMTGMQMT-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Binding Assay: The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity assay (SPA) format.
Measurement: Ki = 794 nM (pChEMBL 6.099999904632568)
Descriptors: MW 368.46, ALogP 2.46, HBA 6, HBD 1, PSA 76.88, QED 0.75
Compound (SMILES): Cc1cc(S(=O)(=O)n2ccc3ccccc32)cc2c3c(n(C)c12)CC1CCC3N1
InChIKey: CMKMDISZRQHMTR-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Binding Assay: The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity assay (SPA) format.
Measurement: Ki = 1.6 nM (pChEMBL 8.800000190734863)
Descriptors: MW 405.52, ALogP 4.03, HBA 5, HBD 1, PSA 56.03, QED 0.55
Compound (SMILES): CCc1cc(S(=O)(=O)c2ccccc2)cc2c3c(n(C)c12)CC1CCC3N1
InChIKey: SFVQXGQWDBTXIO-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Binding Assay: The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity assay (SPA) format.
Measurement: Ki = 17 nM (pChEMBL 7.769999980926514)
Descriptors: MW 380.51, ALogP 3.92, HBA 4, HBD 1, PSA 51.1, QED 0.75
Compound (SMILES): Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)cc(F)c31)C1CCC(C2)N1
InChIKey: VHNJTFTZTKPJJW-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Binding Assay: The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity assay (SPA) format.
Measurement: Ki = 13 nM (pChEMBL 7.889999866485596)
Descriptors: MW 370.45, ALogP 3.5, HBA 4, HBD 1, PSA 51.1, QED 0.75
Compound (SMILES): Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)cc(Cl)c31)C1CCC(C2)N1
InChIKey: AWUGQHJDRNZLDK-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Binding Assay: The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity assay (SPA) format.
Measurement: Ki = 22 nM (pChEMBL 7.659999847412109)
Descriptors: MW 386.9, ALogP 4.01, HBA 4, HBD 1, PSA 51.1, QED 0.72
Compound (SMILES): COc1cc(S(=O)(=O)c2ccccc2)cc2c3c(n(C)c12)CC1CCC3N1
InChIKey: ZAKOAAGMLYVQEK-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Binding Assay: The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity assay (SPA) format.
Measurement: Ki = 0.96 nM (pChEMBL 9.020000457763672)
Descriptors: MW 382.49, ALogP 3.37, HBA 5, HBD 1, PSA 60.33, QED 0.75
Compound (SMILES): CCOc1cc(S(=O)(=O)c2ccccc2)cc2c3c(n(C)c12)CC1CCC3N1
InChIKey: ZVAHREBAAMIKMS-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Binding Assay: The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity assay (SPA) format.
Measurement: Ki = 1 nM (pChEMBL 9)
Descriptors: MW 396.51, ALogP 3.76, HBA 5, HBD 1, PSA 60.33, QED 0.73
Compound (SMILES): CC(C)Oc1cc(S(=O)(=O)c2ccccc2)cc2c3c(n(C)c12)CC1CCC3N1
InChIKey: WJLQDOOELRWEQR-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Binding Assay: The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity assay (SPA) format.
Measurement: Ki = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 410.54, ALogP 4.15, HBA 5, HBD 1, PSA 60.33, QED 0.7
Compound (SMILES): Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)cc(OCc4ccccc4)c31)C1CCC(C2)N1
InChIKey: AAILAEIISVEDFS-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Binding Assay: The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity assay (SPA) format.
Measurement: Ki = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 458.58, ALogP 4.94, HBA 5, HBD 1, PSA 60.33, QED 0.46
Compound (SMILES): O=S(=O)(c1ccccc1)c1ccc2c(c1)c1c(n2-c2ccccc2)CC2CCC1N2
InChIKey: WCHOTFXBPCUYEP-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Binding Assay: The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity assay (SPA) format.
Measurement: Ki = 350 nM (pChEMBL 6.460000038146973)
Descriptors: MW 414.53, ALogP 4.81, HBA 4, HBD 1, PSA 51.1, QED 0.52
Compound (SMILES): O=S(=O)(c1ccccc1)c1ccc2c(c1)c1c(n2CCO)CC2CCC1N2
InChIKey: GSGOSZTWXXTXDZ-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Binding Assay: The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity assay (SPA) format.
Measurement: Ki = 432 nM (pChEMBL 6.369999885559082)
Descriptors: MW 382.49, ALogP 2.82, HBA 5, HBD 2, PSA 71.33, QED 0.73
Compound (SMILES): Cn1c2c(c3cc(S(=O)(=O)c4ccc5cc[nH]c5c4)ccc31)C1CCC(C2)N1
InChIKey: DDKDJIPBMYJCOA-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Binding Assay: The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity assay (SPA) format.
Measurement: Ki = 5.8 nM (pChEMBL 8.239999771118164)
Descriptors: MW 391.5, ALogP 3.84, HBA 4, HBD 2, PSA 66.89, QED 0.55
Compound (SMILES): Cn1c2c(c3cc(S(=O)(=O)c4cc(F)ccn4)ccc31)C1CCC(C2)N1
InChIKey: PDTXNUCBVNUQKF-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Binding Assay: The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity assay (SPA) format.
Measurement: Ki = 341 nM (pChEMBL 6.46999979019165)
Descriptors: MW 371.44, ALogP 2.89, HBA 5, HBD 1, PSA 63.99, QED 0.75
Compound (SMILES): Cn1c2c(c3cc(S(=O)(=O)c4cc(Cl)ccn4)ccc31)C1CCC(C2)N1
InChIKey: YVBFOMUWVVPKDA-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Binding Assay: The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity assay (SPA) format.
Measurement: Ki = 104 nM (pChEMBL 6.980000019073486)
Descriptors: MW 387.89, ALogP 3.41, HBA 5, HBD 1, PSA 63.99, QED 0.73
Compound (SMILES): Cn1c2c(c3cc(S(=O)(=O)c4cccc5cc[nH]c45)ccc31)C1CCC(C2)N1
InChIKey: RJIDSSJPFXJAKA-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Binding Assay: The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity assay (SPA) format.
Measurement: Ki = 4.5 nM (pChEMBL 8.350000381469727)
Descriptors: MW 391.5, ALogP 3.84, HBA 4, HBD 2, PSA 66.89, QED 0.55
Compound (SMILES): Cn1c2c(c3cc(S(=O)(=O)c4cccc5[nH]ccc45)ccc31)C1CCC(C2)N1
InChIKey: HXRGFKJNFJMCTD-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Binding Assay: The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity assay (SPA) format.
Measurement: Ki = 1.2 nM (pChEMBL 8.920000076293945)
Descriptors: MW 391.5, ALogP 3.84, HBA 4, HBD 2, PSA 66.89, QED 0.55
Compound (SMILES): Cn1c2c(c3cc(S(=O)(=O)c4cnc5[nH]ccc5c4)ccc31)C1CCC(C2)N1
InChIKey: WWFDFCIJUZBZKD-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Binding Assay: The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity assay (SPA) format.
Measurement: Ki = 2.9 nM (pChEMBL 8.539999961853027)
Descriptors: MW 392.48, ALogP 3.24, HBA 5, HBD 2, PSA 79.78, QED 0.55
Compound (SMILES): Cn1c2c(c3cc(S(=O)(=O)c4cn(Cc5ccccc5)c5ccccc45)ccc31)C1CCC(C2)N1
InChIKey: YFMKEFKXNYKJBT-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Binding Assay: The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity assay (SPA) format.
Measurement: Ki = 0.71 nM (pChEMBL 9.149999618530273)
Descriptors: MW 481.62, ALogP 5.36, HBA 5, HBD 1, PSA 56.03, QED 0.38
Compound (SMILES): Cn1c2c(c3cc(S(=O)(=O)c4cn(-c5ccccc5)c5ccccc45)ccc31)C1CCC(C2)N1
InChIKey: KLJGXRTWRJQWPC-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Binding Assay: The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity assay (SPA) format.
Measurement: Ki = 9.3 nM (pChEMBL 8.029999732971191)
Descriptors: MW 467.59, ALogP 5.3, HBA 5, HBD 1, PSA 56.03, QED 0.39
Compound (SMILES): Cn1c2c(c3cc(S(=O)(=O)c4ccc5sccc5c4)ccc31)C1CCC(C2)N1
InChIKey: APFXRNZDZLAOPU-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Binding Assay: The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity assay (SPA) format.
Measurement: Ki = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 408.55, ALogP 4.58, HBA 5, HBD 1, PSA 51.1, QED 0.53
Compound (SMILES): Cn1c2c(c3cc(S(=O)(=O)c4ccccc4O)ccc31)C1CCC(C2)N1
InChIKey: KHORPUNSGKTHMR-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Binding Assay: The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity assay (SPA) format.
Measurement: Ki = 100 nM (pChEMBL 7)
Descriptors: MW 368.46, ALogP 3.07, HBA 5, HBD 2, PSA 71.33, QED 0.73
Compound (SMILES): Cn1c2c(c3cc(S(=O)(=O)n4ccc5cccnc54)ccc31)C1CCC(C2)N1
InChIKey: NSQKZIIMCZAEHA-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Binding Assay: The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity assay (SPA) format.
Measurement: Ki = 3.9 nM (pChEMBL 8.40999984741211)
Descriptors: MW 392.48, ALogP 3.11, HBA 6, HBD 1, PSA 68.92, QED 0.57
Compound (SMILES): Cn1c2c(c3cc(S(=O)(=O)n4ccc5ncccc54)ccc31)C1CCC(C2)N1
InChIKey: BRAKEXHXQMNJDV-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Binding Assay: The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity assay (SPA) format.
Measurement: Ki = 78 nM (pChEMBL 7.110000133514404)
Descriptors: MW 392.48, ALogP 3.11, HBA 6, HBD 1, PSA 68.92, QED 0.57
Compound (SMILES): Cn1c2c(c3cc(S(=O)(=O)n4ccc5ccncc54)ccc31)C1CCC(C2)N1
InChIKey: VBADCNLCNDVGHG-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Binding Assay: The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity assay (SPA) format.
Measurement: Ki = 15 nM (pChEMBL 7.820000171661377)
Descriptors: MW 392.48, ALogP 3.11, HBA 6, HBD 1, PSA 68.92, QED 0.57
Compound (SMILES): CCn1cc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)CC3CCC2N3)c2ccccc21
InChIKey: AGCNVMQBGLWVOV-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Binding Assay: The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity assay (SPA) format.
Measurement: Ki = 0.72 nM (pChEMBL 9.140000343322754)
Descriptors: MW 419.55, ALogP 4.33, HBA 5, HBD 1, PSA 56.03, QED 0.54
Compound (SMILES): Cn1c2c(c3cc(S(=O)(=O)c4cccc5ncccc45)ccc31)C1CCC(C2)N1
InChIKey: LEVDXNRRALAJPG-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Binding Assay: The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity assay (SPA) format.
Measurement: Ki = 148 nM (pChEMBL 6.829999923706055)
Descriptors: MW 403.51, ALogP 3.91, HBA 5, HBD 1, PSA 63.99, QED 0.55
Compound (SMILES): Cn1c2c(c3cc(S(=O)(=O)c4cccc5cnccc45)ccc31)C1CCC(C2)N1
InChIKey: IDSDRTXJSSYVFT-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Binding Assay: The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity assay (SPA) format.
Measurement: Ki = 22 nM (pChEMBL 7.659999847412109)
Descriptors: MW 403.51, ALogP 3.91, HBA 5, HBD 1, PSA 63.99, QED 0.55
Compound (SMILES): Cn1c2c(c3cc(S(=O)(=O)c4cccc5cccnc45)ccc31)C1CCC(C2)N1
InChIKey: XDUOMJSWMCAUDX-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Binding Assay: The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity assay (SPA) format.
Measurement: Ki = 23 nM (pChEMBL 7.639999866485596)
Descriptors: MW 403.51, ALogP 3.91, HBA 5, HBD 1, PSA 63.99, QED 0.55
Compound (SMILES): Cn1c2c(c3cc(S(=O)(=O)c4ccc5occc5c4)ccc31)C1CCC(C2)N1
InChIKey: AUZWOAZSYDDIHT-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Binding Assay: The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity assay (SPA) format.
Measurement: Ki = 20 nM (pChEMBL 7.699999809265137)
Descriptors: MW 392.48, ALogP 4.11, HBA 5, HBD 1, PSA 64.24, QED 0.56
Compound (SMILES): CC(C)n1ccc2cc(S(=O)(=O)c3ccc4c(c3)c3c(n4C)CC4CCC3N4)ccc21
InChIKey: HXXHCSQSWMUQQH-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Binding Assay: The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity assay (SPA) format.
Measurement: Ki = 4.4 nM (pChEMBL 8.359999656677246)
Descriptors: MW 433.58, ALogP 4.9, HBA 5, HBD 1, PSA 56.03, QED 0.5
Compound (SMILES): CCn1ccc2cc(S(=O)(=O)c3ccc4c(c3)c3c(n4C)CC4CCC3N4)ccc21
InChIKey: VBKANYWYTNJEAU-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Binding Assay: The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity assay (SPA) format.
Measurement: Ki = 5.8 nM (pChEMBL 8.239999771118164)
Descriptors: MW 419.55, ALogP 4.33, HBA 5, HBD 1, PSA 56.03, QED 0.54
Compound (SMILES): Cn1c2c(c3cc(S(=O)(=O)c4ccc5c(ccn5CCO)c4)ccc31)C1CCC(C2)N1
InChIKey: DUTCNPUXEDDNHE-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Binding Assay: The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity assay (SPA) format.
Measurement: Ki = 228 nM (pChEMBL 6.639999866485596)
Descriptors: MW 435.55, ALogP 3.31, HBA 6, HBD 2, PSA 76.26, QED 0.52
Compound (SMILES): COCCn1ccc2cc(S(=O)(=O)c3ccc4c(c3)c3c(n4C)CC4CCC3N4)ccc21
InChIKey: DTEYHUHYFFWHFM-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P50406
Assay: Binding Assay: The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity assay (SPA) format.
Measurement: Ki = 64 nM (pChEMBL 7.190000057220459)
Descriptors: MW 449.58, ALogP 3.96, HBA 6, HBD 1, PSA 65.26, QED 0.5
Compound (SMILES): Cc1nc(NC(=O)c2cc(Oc3cncnc3)ccn2)sc1F
InChIKey: UQCVDDWVSFSTNQ-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Cell Based Assay: mGluR5 activity was determined in a cell-based assay.
Measurement: IC50 = 981 nM (pChEMBL 6.010000228881836)
Descriptors: MW 331.33, ALogP 2.82, HBA 7, HBD 1, PSA 89.89, QED 0.79
Compound (SMILES): CCc1ccnc(NC(=O)c2cc(Oc3cncnc3)ccn2)c1
InChIKey: AHONCKSWBONJNO-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Cell Based Assay: mGluR5 activity was determined in a cell-based assay.
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 321.34, ALogP 2.87, HBA 6, HBD 1, PSA 89.89, QED 0.78
Compound (SMILES): O=C(Nc1cc(Cl)ccn1)c1cc(Oc2cncnc2)ccn1
InChIKey: SCTUKZPGZFNDDW-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Cell Based Assay: mGluR5 activity was determined in a cell-based assay.
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 327.73, ALogP 2.96, HBA 6, HBD 1, PSA 89.89, QED 0.79
Compound (SMILES): Cc1cncc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1
InChIKey: HCMDFLWBUJQLGJ-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Cell Based Assay: mGluR5 activity was determined in a cell-based assay.
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 308.3, ALogP 2.01, HBA 7, HBD 1, PSA 102.78, QED 0.79
Compound (SMILES): COc1ccnc(NC(=O)c2cc(Oc3cncnc3)ccn2)c1
InChIKey: KHXDUXWREGJNPD-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Cell Based Assay: mGluR5 activity was determined in a cell-based assay.
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 323.31, ALogP 2.32, HBA 7, HBD 1, PSA 99.12, QED 0.77
Compound (SMILES): Cc1ccnc(NC(=O)c2cc(Oc3cncnc3)ccn2)c1
InChIKey: KDFUQIMAMPWVOT-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Cell Based Assay: mGluR5 activity was determined in a cell-based assay.
Measurement: IC50 = 1220 nM (pChEMBL 5.909999847412109)
Descriptors: MW 307.31, ALogP 2.62, HBA 6, HBD 1, PSA 89.89, QED 0.8
Compound (SMILES): O=C(Nc1nc(C(F)(F)F)cs1)c1cc(Oc2cncnc2)ccn1
InChIKey: WLLIZGWLOXZVED-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Cell Based Assay: mGluR5 activity was determined in a cell-based assay.
Measurement: IC50 = 6770 nM (pChEMBL 5.170000076293945)
Descriptors: MW 367.31, ALogP 3.39, HBA 7, HBD 1, PSA 89.89, QED 0.76
Compound (SMILES): Cc1nc(NC(=O)c2cc(Oc3cncnc3)ccn2)sc1C(C)(C)C
InChIKey: LWLDGGCFJUIERW-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Cell Based Assay: mGluR5 activity was determined in a cell-based assay.
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 369.45, ALogP 3.98, HBA 7, HBD 1, PSA 89.89, QED 0.75
Compound (SMILES): O=C(Nc1nc2ccccc2s1)c1cc(Oc2cncnc2)ccn1
InChIKey: VNLINFXLNHMGDM-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Cell Based Assay: mGluR5 activity was determined in a cell-based assay.
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 349.38, ALogP 3.53, HBA 7, HBD 1, PSA 89.89, QED 0.61
Compound (SMILES): O=C(Nc1nc(C(F)F)cs1)c1cc(Oc2cncnc2)ccn1
InChIKey: KEZDDGPRXGPQEU-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Cell Based Assay: mGluR5 activity was determined in a cell-based assay.
Measurement: IC50 = 7050 nM (pChEMBL 5.150000095367432)
Descriptors: MW 349.32, ALogP 3.31, HBA 7, HBD 1, PSA 89.89, QED 0.76
Compound (SMILES): NC(=O)c1csc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1
InChIKey: VGMBUVNOMJXWHZ-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Cell Based Assay: mGluR5 activity was determined in a cell-based assay.
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 342.34, ALogP 1.47, HBA 8, HBD 2, PSA 132.98, QED 0.72
Compound (SMILES): Cc1nc(NC(=O)c2cc(Oc3cncnc3)ccn2)sc1Br
InChIKey: PUARLVQTGQJPKQ-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Cell Based Assay: mGluR5 activity was determined in a cell-based assay.
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 392.24, ALogP 3.44, HBA 7, HBD 1, PSA 89.89, QED 0.73
Compound (SMILES): O=C(Nc1cc(Br)ccn1)c1cc(Oc2cncnc2)ccn1
InChIKey: NDRPUFFUVSVSLV-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Cell Based Assay: mGluR5 activity was determined in a cell-based assay.
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 372.18, ALogP 3.07, HBA 6, HBD 1, PSA 89.89, QED 0.76
Compound (SMILES): O=C(Nc1ccc(F)c(CF)n1)c1cc(Oc2cncnc2)ccn1
InChIKey: WRBYIKJQODPXGM-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Cell Based Assay: mGluR5 activity was determined in a cell-based assay.
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 343.29, ALogP 2.92, HBA 6, HBD 1, PSA 89.89, QED 0.77
Compound (SMILES): O=C(Nc1ccc(F)c(C(F)F)n1)c1cc(Oc2cncnc2)ccn1
InChIKey: KCGNNFFJDKDVBL-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Cell Based Assay: mGluR5 activity was determined in a cell-based assay.
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 361.28, ALogP 3.39, HBA 6, HBD 1, PSA 89.89, QED 0.75
Compound (SMILES): COc1cccc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1
InChIKey: DXTXFOXQNKMVOR-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Cell Based Assay: mGluR5 activity was determined in a cell-based assay.
Measurement: IC50 = 2140 nM (pChEMBL 5.670000076293945)
Descriptors: MW 323.31, ALogP 2.32, HBA 7, HBD 1, PSA 99.12, QED 0.77
Compound (SMILES): O=C(Nc1cccc(C(F)(F)F)n1)c1cc(Oc2cncnc2)ccn1
InChIKey: AREFTTIREGBURD-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Cell Based Assay: mGluR5 activity was determined in a cell-based assay.
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 361.28, ALogP 3.33, HBA 6, HBD 1, PSA 89.89, QED 0.77
Compound (SMILES): Cc1nc(NC(=O)c2cc(Oc3cncnc3)ccn2)ccc1F
InChIKey: BAWYHDMIGHMJHN-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Cell Based Assay: mGluR5 activity was determined in a cell-based assay.
Measurement: IC50 = 746 nM (pChEMBL 6.130000114440918)
Descriptors: MW 325.3, ALogP 2.76, HBA 6, HBD 1, PSA 89.89, QED 0.79
Compound (SMILES): CC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1
InChIKey: URKYBTISJBKTKP-UAPYVXQJSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Biochemical 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 = 253.68 nM (pChEMBL 6.599999904632568)
Descriptors: MW 372.51, ALogP 3.68, HBA 4, HBD 1, PSA 50.8, QED 0.86
Compound (SMILES): COCCC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1
InChIKey: CBQSITUTOXWCDZ-KESTWPANSA-N
Target: D(3) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35462
Assay: Biochemical 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 = 5.82 nM (pChEMBL 8.229999542236328)
Descriptors: MW 416.56, ALogP 3.7, HBA 5, HBD 1, PSA 60.03, QED 0.7
Compound (SMILES): O=C(CC1COCCO1)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1
InChIKey: CFTKIUKLSZSRGT-LFKXIUMZSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Biochemical 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 = 13.94 nM (pChEMBL 7.860000133514404)
Descriptors: MW 458.6, ALogP 3.47, HBA 6, HBD 1, PSA 69.26, QED 0.67
Compound (SMILES): O=C(C[C@H]1COCCO1)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1
InChIKey: CFTKIUKLSZSRGT-BVSLBCMMSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Biochemical 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 = 11.85 nM (pChEMBL 7.929999828338623)
Descriptors: MW 458.6, ALogP 3.47, HBA 6, HBD 1, PSA 69.26, QED 0.67
Compound (SMILES): O=C(C[C@@H]1COCCO1)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1
InChIKey: CFTKIUKLSZSRGT-CEMLEFRQSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Biochemical 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 = 16.97 nM (pChEMBL 7.769999980926514)
Descriptors: MW 458.6, ALogP 3.47, HBA 6, HBD 1, PSA 69.26, QED 0.67
Compound (SMILES): O=C(CC1CCCO1)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1
InChIKey: LAGLIYNPBAJZEJ-LFKXIUMZSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Biochemical 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 = 389.06 nM (pChEMBL 6.409999847412109)
Descriptors: MW 442.6, ALogP 4.23, HBA 5, HBD 1, PSA 60.03, QED 0.68
Compound (SMILES): CCC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1
InChIKey: HOJGYADNYPGADT-UAPYVXQJSA-N
Target: D(3) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35462
Assay: Biochemical 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 = 4.19 nM (pChEMBL 8.380000114440918)
Descriptors: MW 386.54, ALogP 4.07, HBA 4, HBD 1, PSA 50.8, QED 0.8
Compound (SMILES): O=C(CC1CC1)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1
InChIKey: WTONWMINNVVDTM-XGAFWQRZSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Biochemical 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 = 17.65 nM (pChEMBL 7.75)
Descriptors: MW 412.57, ALogP 4.46, HBA 4, HBD 1, PSA 50.8, QED 0.72
Compound (SMILES): O=C(N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)c1ccccc1
InChIKey: KTBHNUYISHHNFW-JKIUYZKVSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Biochemical 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 = 5.14 nM (pChEMBL 8.289999961853027)
Descriptors: MW 434.58, ALogP 4.97, HBA 4, HBD 1, PSA 50.8, QED 0.7
Compound (SMILES): O=C(CC(F)(F)F)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1
InChIKey: VBNZKUKNBGOHDO-SAABIXHNSA-N
Target: D(3) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35462
Assay: Biochemical 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 = 3.98 nM (pChEMBL 8.399999618530273)
Descriptors: MW 440.51, ALogP 4.61, HBA 4, HBD 1, PSA 50.8, QED 0.7
Compound (SMILES): O=C(CCC(F)(F)F)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1
InChIKey: ZCWMQWXQIIXTEH-UAPYVXQJSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Biochemical 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 = 410.4 nM (pChEMBL 6.389999866485596)
Descriptors: MW 454.53, ALogP 5, HBA 4, HBD 1, PSA 50.8, QED 0.63
Compound (SMILES): O=C(N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)C(O)C(F)(F)F
InChIKey: UEOLBOREQLRPTL-DVUVRWKGSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Biochemical 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 = 13.99 nM (pChEMBL 7.849999904632568)
Descriptors: MW 456.51, ALogP 3.58, HBA 5, HBD 2, PSA 71.03, QED 0.68
Compound (SMILES): COCC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1
InChIKey: GOGFNQYGVYCYHI-UAPYVXQJSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Biochemical 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 = 14.62 nM (pChEMBL 7.829999923706055)
Descriptors: MW 402.54, ALogP 3.31, HBA 5, HBD 1, PSA 60.03, QED 0.76
Compound (SMILES): N#Cc1ccc(C(=O)N[C@H]2CC[C@H](CCN3CCC(c4cccc5c4OCO5)CC3)CC2)cc1
InChIKey: DVBIYRUFMRQOAP-LSNLESRRSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Biochemical 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 = 152.76 nM (pChEMBL 6.820000171661377)
Descriptors: MW 459.59, ALogP 4.85, HBA 5, HBD 1, PSA 74.59, QED 0.67
Compound (SMILES): Cc1ccc(C(=O)N[C@H]2CC[C@H](CCN3CCC(c4cccc5c4OCO5)CC3)CC2)cn1
InChIKey: GOXUZWWTKIXHQU-JKIUYZKVSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Biochemical 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 = 133.46 nM (pChEMBL 6.880000114440918)
Descriptors: MW 449.6, ALogP 4.68, HBA 5, HBD 1, PSA 63.69, QED 0.69
Compound (SMILES): O=C(C[C@H]1CCCO1)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1
InChIKey: LAGLIYNPBAJZEJ-CEMLEFRQSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Biochemical 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 = 27.96 nM (pChEMBL 7.550000190734863)
Descriptors: MW 442.6, ALogP 4.23, HBA 5, HBD 1, PSA 60.03, QED 0.68
Compound (SMILES): O=C(C[C@@H]1CCCO1)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1
InChIKey: LAGLIYNPBAJZEJ-BVSLBCMMSA-N
Target: D(3) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35462
Assay: Biochemical 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 = 6.41 nM (pChEMBL 8.1899995803833)
Descriptors: MW 442.6, ALogP 4.23, HBA 5, HBD 1, PSA 60.03, QED 0.68
Compound (SMILES): COC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1
InChIKey: XLFVNUMKTSPYMC-SAABIXHNSA-N
Target: D(3) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35462
Assay: Biochemical 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 = 3.26 nM (pChEMBL 8.489999771118164)
Descriptors: MW 388.51, ALogP 3.9, HBA 5, HBD 1, PSA 60.03, QED 0.83
Compound (SMILES): Cc1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCC(c4cccc5c4OCO5)CC3)CC2)on1
InChIKey: VNDRDTRYTOSTBB-XUTJKUGGSA-N
Target: D(3) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35462
Assay: Biochemical 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 = 1.19 nM (pChEMBL 8.920000076293945)
Descriptors: MW 453.58, ALogP 4.2, HBA 6, HBD 1, PSA 76.83, QED 0.68
Compound (SMILES): N#CCC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1
InChIKey: ZJUQDFIINDCGDS-UAPYVXQJSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Biochemical 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 = 202.82 nM (pChEMBL 6.690000057220459)
Descriptors: MW 397.52, ALogP 3.57, HBA 5, HBD 1, PSA 74.59, QED 0.79
Compound (SMILES): O=C(CC1(O)CCCCC1)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1
InChIKey: DJNLKADPUUFBDG-AFARHQOCSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Biochemical 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 = 361.06 nM (pChEMBL 6.440000057220459)
Descriptors: MW 470.65, ALogP 4.75, HBA 5, HBD 2, PSA 71.03, QED 0.6
Compound (SMILES): O=C(CC1CCCCO1)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1
InChIKey: VTFHJUTXAYAVPD-YEMPIKNUSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Biochemical 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 = 15.58 nM (pChEMBL 7.809999942779541)
Descriptors: MW 456.63, ALogP 4.62, HBA 5, HBD 1, PSA 60.03, QED 0.65
Compound (SMILES): CC(C)C(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1
InChIKey: FGGHQCCTGDDYGV-KESTWPANSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Biochemical 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 = 397.43 nM (pChEMBL 6.400000095367432)
Descriptors: MW 400.56, ALogP 4.32, HBA 4, HBD 1, PSA 50.8, QED 0.77
Compound (SMILES): CC(C)CC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1
InChIKey: BRANQVYSEMSFOV-XUTJKUGGSA-N
Target: D(3) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35462
Assay: Biochemical 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 nM (pChEMBL 8.300000190734863)
Descriptors: MW 414.59, ALogP 4.71, HBA 4, HBD 1, PSA 50.8, QED 0.7
Compound (SMILES): CCCC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1
InChIKey: MLKJSRUZFXLXTL-KESTWPANSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Biochemical 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 = 277.39 nM (pChEMBL 6.559999942779541)
Descriptors: MW 400.56, ALogP 4.46, HBA 4, HBD 1, PSA 50.8, QED 0.73
Compound (SMILES): O=C(N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)C1CC1(F)F
InChIKey: GACXEIRXCURUID-QNRJLKAHSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Biochemical 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 = 194.24 nM (pChEMBL 6.710000038146973)
Descriptors: MW 434.53, ALogP 4.32, HBA 4, HBD 1, PSA 50.8, QED 0.72
Compound (SMILES): COC(C)CC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1
InChIKey: HVESNMTZXGJVII-OIFYPAEGSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Biochemical 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 = 402.37 nM (pChEMBL 6.389999866485596)
Descriptors: MW 430.59, ALogP 4.08, HBA 5, HBD 1, PSA 60.03, QED 0.67
Compound (SMILES): O=C(N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)C1CC(Cl)C1
InChIKey: LKGWPHHIJYCDSR-SXFOHPBWSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Biochemical 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 = 305.12 nM (pChEMBL 6.519999980926514)
Descriptors: MW 447.02, ALogP 4.68, HBA 4, HBD 1, PSA 50.8, QED 0.64
Compound (SMILES): O=C(CC1COC1)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1
InChIKey: ICDUPLIIKZSMRC-XGAFWQRZSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Biochemical 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 = 258.19 nM (pChEMBL 6.590000152587891)
Descriptors: MW 428.57, ALogP 3.7, HBA 5, HBD 1, PSA 60.03, QED 0.72
Compound (SMILES): CO[C@@H]1CC[C@@H](CC(=O)N[C@H]2CC[C@H](CCN3CCC(c4cccc5c4OCO5)CC3)CC2)C1
InChIKey: AZFDKPLHCSQHQI-LUGTWXOSSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Biochemical 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 = 27.45 nM (pChEMBL 7.559999942779541)
Descriptors: MW 470.65, ALogP 4.87, HBA 5, HBD 1, PSA 60.03, QED 0.59
Compound (SMILES): O=C(CC1(O)CCOCC1)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1
InChIKey: ABOYXIDEOWOTGI-AQYVVDRMSA-N
Target: D(3) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35462
Assay: Biochemical 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 = 7.15 nM (pChEMBL 8.149999618530273)
Descriptors: MW 472.63, ALogP 3.59, HBA 6, HBD 2, PSA 80.26, QED 0.63
Compound (SMILES): CC(C)(O)C(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1
InChIKey: ZCDUILRTHXKGRD-UAPYVXQJSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Biochemical 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 = 406.7 nM (pChEMBL 6.389999866485596)
Descriptors: MW 416.56, ALogP 3.43, HBA 5, HBD 2, PSA 71.03, QED 0.74
Compound (SMILES): CO[C@@H](C)C(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1
InChIKey: LSKZCQKQGRUHKQ-BJLQDIEVSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Biochemical 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 = 463.94 nM (pChEMBL 6.329999923706055)
Descriptors: MW 416.56, ALogP 3.69, HBA 5, HBD 1, PSA 60.03, QED 0.73
Compound (SMILES): CO[C@H](C)C(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1
InChIKey: LSKZCQKQGRUHKQ-QWFCFKBJSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Biochemical 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 = 9.57 nM (pChEMBL 8.020000457763672)
Descriptors: MW 416.56, ALogP 3.69, HBA 5, HBD 1, PSA 60.03, QED 0.73
Compound (SMILES): CC(C)(O)CC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1
InChIKey: TVKYQCPWDDYVLL-KESTWPANSA-N
Target: D(3) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35462
Assay: Biochemical 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 430.59, ALogP 3.82, HBA 5, HBD 2, PSA 71.03, QED 0.69
Compound (SMILES): O=C(N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)c1ccc(Cl)cc1
InChIKey: PMHBIRXUKAOYEK-UILWBTOOSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Biochemical 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 = 21.8 nM (pChEMBL 7.659999847412109)
Descriptors: MW 469.03, ALogP 5.63, HBA 4, HBD 1, PSA 50.8, QED 0.6