lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): Cn1cnc(NCc2ccncc2)c1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIKey: GQBONCYQEFXYJX-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 = 1980 nM (pChEMBL 5.699999809265137)
Descriptors: MW 375.35, ALogP 3.7, HBA 5, HBD 2, PSA 71.84, QED 0.71
Compound (SMILES): Cn1cnc(NCc2ccncc2)c1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIKey: LZVWFFXHOYOAET-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 = 1150 nM (pChEMBL 5.940000057220459)
Descriptors: MW 391.35, ALogP 3.58, HBA 6, HBD 2, PSA 81.07, QED 0.67
Compound (SMILES): Cn1cnc(NCc2ccncc2)c1C(=O)Nc1cccc(OC(F)(F)F)c1
InChIKey: ZZPFELDPNUPEOD-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 = 760 nM (pChEMBL 6.119999885559082)
Descriptors: MW 391.35, ALogP 3.58, HBA 6, HBD 2, PSA 81.07, QED 0.67
Compound (SMILES): Cn1cnc(NCc2ccncc2)c1C(=O)Nc1ccc(Cl)cc1
InChIKey: IVDPKMYSAYEHSO-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 = 250 nM (pChEMBL 6.599999904632568)
Descriptors: MW 341.8, ALogP 3.33, HBA 5, HBD 2, PSA 71.84, QED 0.75
Compound (SMILES): Cn1cnc(NCc2ccncc2)c1C(=O)Nc1cccc(Cl)c1
InChIKey: SYKLWGGCVRAADQ-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 = 2060 nM (pChEMBL 5.690000057220459)
Descriptors: MW 341.8, ALogP 3.33, HBA 5, HBD 2, PSA 71.84, QED 0.75
Compound (SMILES): Cn1cnc(NCc2ccncc2)c1C(=O)Nc1ccc(C(C)(C)C)cc1
InChIKey: GRWWMWQTKFKHLE-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 = 87 nM (pChEMBL 7.059999942779541)
Descriptors: MW 363.47, ALogP 3.98, HBA 5, HBD 2, PSA 71.84, QED 0.72
Compound (SMILES): CC(C)c1ccc(NC(=O)c2c(NCc3ccncc3)ncn2C)cc1
InChIKey: CEDYKRBCAXLBBQ-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 = 180 nM (pChEMBL 6.75)
Descriptors: MW 349.44, ALogP 3.8, HBA 5, HBD 2, PSA 71.84, QED 0.71
Compound (SMILES): Cn1cnc(NCc2ccncc2)c1C(=O)Nc1ccc(-c2ccccc2)cc1
InChIKey: LTXNZHKYXXSYPY-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 = 3770 nM (pChEMBL 5.420000076293945)
Descriptors: MW 383.46, ALogP 4.35, HBA 5, HBD 2, PSA 71.84, QED 0.52
Compound (SMILES): Cn1cnc(NCc2ccncc2)c1C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIKey: LZZDSIASSRHHCC-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 = 4290 nM (pChEMBL 5.369999885559082)
Descriptors: MW 399.45, ALogP 4.47, HBA 6, HBD 2, PSA 81.07, QED 0.48
Compound (SMILES): Cn1cnc(NCc2ccncc2)c1C(=O)Nc1ccc(Cc2ccccc2)cc1
InChIKey: CEIJGXADGDLWQX-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 = 5570 nM (pChEMBL 5.25)
Descriptors: MW 397.48, ALogP 4.27, HBA 5, HBD 2, PSA 71.84, QED 0.49
Compound (SMILES): Cn1cnc(NCc2ccncc2)c1C(=O)Nc1cnc2ccccc2c1
InChIKey: HLIHZLFNMDYORN-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 = 230 nM (pChEMBL 6.639999866485596)
Descriptors: MW 358.41, ALogP 3.23, HBA 6, HBD 2, PSA 84.73, QED 0.57
Compound (SMILES): O=S(=O)(c1ccc(F)cc1)c1ccc(CCc2ccc(F)cc2)cn1
InChIKey: PABZJFZRAJANGX-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Displacement of [3H]ketanserin from human 5HT2A receptor expressed in CHO cells
Measurement: Ki = 19 nM (pChEMBL 7.71999979019165)
Descriptors: MW 359.4, ALogP 3.98, HBA 3, HBD 0, PSA 47.03, QED 0.65
Compound (SMILES): O=S(=O)(c1ccc(F)cc1)c1ccc(CCc2ccc(F)cc2)nc1
InChIKey: STAZSACUQPAKDP-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Displacement of [3H]ketanserin from human 5HT2A receptor expressed in CHO cells
Measurement: Ki = 23 nM (pChEMBL 7.639999866485596)
Descriptors: MW 359.4, ALogP 3.98, HBA 3, HBD 0, PSA 47.03, QED 0.65
Compound (SMILES): O=S(=O)(c1ccc(F)cc1)c1ccc(/C=C/c2ccc(F)cc2)cn1
InChIKey: BPSGUTHNLYFYMX-OWOJBTEDSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Displacement of [3H]ketanserin from human 5HT2A receptor expressed in CHO cells
Measurement: Ki = 28 nM (pChEMBL 7.550000190734863)
Descriptors: MW 357.38, ALogP 4.36, HBA 3, HBD 0, PSA 47.03, QED 0.65
Compound (SMILES): O=S(=O)(c1ccc(F)cc1)c1ccc(/C=C/c2ccc(F)cc2)nc1
InChIKey: VJDPPNNCFURYHW-FPYGCLRLSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Displacement of [3H]ketanserin from human 5HT2A receptor expressed in CHO cells
Measurement: Ki = 17 nM (pChEMBL 7.769999980926514)
Descriptors: MW 357.38, ALogP 4.36, HBA 3, HBD 0, PSA 47.03, QED 0.65
Compound (SMILES): O=S(=O)(c1ccc(/C=C/c2ccc(F)cc2)nc1)c1cccc(F)c1
InChIKey: GEDVVWSAYINLFO-RMKNXTFCSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Displacement of [3H]ketanserin from human 5HT2A receptor expressed in CHO cells
Measurement: Ki = 9.6 nM (pChEMBL 8.020000457763672)
Descriptors: MW 357.38, ALogP 4.36, HBA 3, HBD 0, PSA 47.03, QED 0.7
Compound (SMILES): O=S(=O)(c1ccc(/C=C/c2ccc(F)cc2)nc1)c1ccccc1F
InChIKey: HCQGGYRWBPHDIG-JXMROGBWSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Displacement of [3H]ketanserin from human 5HT2A receptor expressed in CHO cells
Measurement: Ki = 5.4 nM (pChEMBL 8.270000457763672)
Descriptors: MW 357.38, ALogP 4.36, HBA 3, HBD 0, PSA 47.03, QED 0.7
Compound (SMILES): O=S(=O)(c1ccccc1)c1ccc(/C=C/c2ccc(F)cc2)nc1
InChIKey: ANNXZFGXMGNRDN-DHZHZOJOSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Displacement of [3H]ketanserin from human 5HT2A receptor expressed in CHO cells
Measurement: Ki = 7.4 nM (pChEMBL 8.130000114440918)
Descriptors: MW 339.39, ALogP 4.22, HBA 3, HBD 0, PSA 47.03, QED 0.71
Compound (SMILES): O=S(=O)(c1ccc(/C=C/c2ccccc2F)nc1)c1ccccc1F
InChIKey: AMJJFRAHQZYBJE-MDZDMXLPSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Displacement of [3H]ketanserin from human 5HT2A receptor expressed in CHO cells
Measurement: Ki = 2.6 nM (pChEMBL 8.59000015258789)
Descriptors: MW 357.38, ALogP 4.36, HBA 3, HBD 0, PSA 47.03, QED 0.7
Compound (SMILES): O=S(=O)(c1ccc(/C=C/c2cccc(F)c2)nc1)c1ccccc1F
InChIKey: NHBSENMOHAEDAT-CMDGGOBGSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Displacement of [3H]ketanserin from human 5HT2A receptor expressed in CHO cells
Measurement: Ki = 150 nM (pChEMBL 6.820000171661377)
Descriptors: MW 357.38, ALogP 4.36, HBA 3, HBD 0, PSA 47.03, QED 0.7
Compound (SMILES): O=S(=O)(c1ccc(/C=C/c2ccncc2)nc1)c1ccccc1F
InChIKey: QALZHYNSPGJGIB-AATRIKPKSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Displacement of [3H]ketanserin from human 5HT2A receptor expressed in CHO cells
Measurement: Ki = 790 nM (pChEMBL 6.099999904632568)
Descriptors: MW 340.38, ALogP 3.62, HBA 4, HBD 0, PSA 59.92, QED 0.73
Compound (SMILES): O=S(=O)(c1ccc(/C=C/c2ccc(F)cc2F)nc1)c1ccccc1F
InChIKey: PNIRAOQLYCRNSM-SOFGYWHQSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Displacement of [3H]ketanserin from human 5HT2A receptor expressed in CHO cells
Measurement: Ki = 2.6 nM (pChEMBL 8.59000015258789)
Descriptors: MW 375.37, ALogP 4.5, HBA 3, HBD 0, PSA 47.03, QED 0.67
Compound (SMILES): O=S(=O)(c1ccc(/C=C/c2ccc(F)cc2Cl)nc1)c1ccccc1F
InChIKey: AGNKOCOPBGDROC-SOFGYWHQSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Displacement of [3H]ketanserin from human 5HT2A receptor expressed in CHO cells
Measurement: Ki = 1.8 nM (pChEMBL 8.739999771118164)
Descriptors: MW 391.83, ALogP 5.02, HBA 3, HBD 0, PSA 47.03, QED 0.63
Compound (SMILES): Cc1cc(F)ccc1/C=C/c1ccc(S(=O)(=O)c2ccccc2F)cn1
InChIKey: XRIYQJQTBYCRKS-VQHVLOKHSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Displacement of [3H]ketanserin from human 5HT2A receptor expressed in CHO cells
Measurement: Ki = 8.2 nM (pChEMBL 8.09000015258789)
Descriptors: MW 371.41, ALogP 4.67, HBA 3, HBD 0, PSA 47.03, QED 0.67
Compound (SMILES): N#Cc1cc(F)ccc1/C=C/c1ccc(S(=O)(=O)c2ccccc2F)cn1
InChIKey: WKFCBROSCKHSNN-SOFGYWHQSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Displacement of [3H]ketanserin from human 5HT2A receptor expressed in CHO cells
Measurement: Ki = 9.9 nM (pChEMBL 8)
Descriptors: MW 382.39, ALogP 4.23, HBA 4, HBD 0, PSA 70.82, QED 0.68
Compound (SMILES): O=S(=O)(c1ccc(/C=C/c2ccc(F)cc2O)nc1)c1ccccc1F
InChIKey: QMVRSBUQOIXYIF-SOFGYWHQSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Displacement of [3H]ketanserin from human 5HT2A receptor expressed in CHO cells
Measurement: Ki = 0.19 nM (pChEMBL 9.720000267028809)
Descriptors: MW 373.38, ALogP 4.07, HBA 4, HBD 1, PSA 67.26, QED 0.75
Compound (SMILES): O=S(=O)(c1ccc(/C=C/c2ccccc2O)nc1)c1ccccc1F
InChIKey: YNXMRPPJUWZMOJ-MDZDMXLPSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Displacement of [3H]ketanserin from human 5HT2A receptor expressed in CHO cells
Measurement: Ki = 3.6 nM (pChEMBL 8.4399995803833)
Descriptors: MW 355.39, ALogP 3.93, HBA 4, HBD 1, PSA 67.26, QED 0.77
Compound (SMILES): COc1cc(F)ccc1/C=C/c1ccc(S(=O)(=O)c2ccccc2F)cn1
InChIKey: KWUCWCAVKSOOTH-VQHVLOKHSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Displacement of [3H]ketanserin from human 5HT2A receptor expressed in CHO cells
Measurement: Ki = 65 nM (pChEMBL 7.190000057220459)
Descriptors: MW 387.41, ALogP 4.37, HBA 4, HBD 0, PSA 56.26, QED 0.65
Compound (SMILES): [O-][S+](c1ccc(/C=C/c2ccc(F)cc2)nc1)c1ccccc1F
InChIKey: YRQCJPSWALKIBN-JXMROGBWSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Displacement of [3H]ketanserin from human 5HT2A receptor expressed in CHO cells
Measurement: Ki = 4.6 nM (pChEMBL 8.34000015258789)
Descriptors: MW 341.38, ALogP 4.7, HBA 2, HBD 0, PSA 35.95, QED 0.65
Compound (SMILES): [O-][S+](c1ccc(/C=C/c2ccc(F)cc2F)nc1)c1ccccc1F
InChIKey: OORCBDUKAGBPKM-SOFGYWHQSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Displacement of [3H]ketanserin from human 5HT2A receptor expressed in CHO cells
Measurement: Ki = 3.5 nM (pChEMBL 8.460000038146973)
Descriptors: MW 359.37, ALogP 4.84, HBA 2, HBD 0, PSA 35.95, QED 0.63
Compound (SMILES): [O-][S+](c1ccccc1)c1ccc(/C=C/c2ccc(F)cc2)nc1
InChIKey: YFWOOEBYKGJCJO-DHZHZOJOSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Displacement of [3H]ketanserin from human 5HT2A receptor expressed in CHO cells
Measurement: Ki = 7.7 nM (pChEMBL 8.109999656677246)
Descriptors: MW 323.39, ALogP 4.56, HBA 2, HBD 0, PSA 35.95, QED 0.66
Compound (SMILES): [O-][S+](c1ccccc1)c1ccc(/C=C/c2ccc(F)cc2F)nc1
InChIKey: DLASHKPJUVPKQY-VQHVLOKHSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Homo sapiens
UniProt: P28223
Assay: Displacement of [3H]ketanserin from human 5HT2A receptor expressed in CHO cells
Measurement: Ki = 0.7 nM (pChEMBL 9.149999618530273)
Descriptors: MW 341.38, ALogP 4.7, HBA 2, HBD 0, PSA 35.95, QED 0.65
Compound (SMILES): COc1cccc(C2=NCCc3c2[nH]c2ccccc32)c1
InChIKey: OOQVRZODYJGIGC-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: P34969
Assay: Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells
Measurement: Ki = 800 nM (pChEMBL 6.099999904632568)
Descriptors: MW 276.34, ALogP 3.57, HBA 2, HBD 1, PSA 37.38, QED 0.76
Compound (SMILES): Oc1cccc(C2NCCc3c2[nH]c2ccccc32)c1
InChIKey: PBHDVNKOSVXBHD-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: P34969
Assay: Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells
Measurement: Ki = 1100 nM (pChEMBL 5.960000038146973)
Descriptors: MW 264.33, ALogP 3.11, HBA 2, HBD 3, PSA 48.05, QED 0.63
Compound (SMILES): COc1cccc(C2=NCCc3c2[nH]c2ccc(OC)cc32)c1
InChIKey: LGJFIMWHIPCVAQ-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: P34969
Assay: Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells
Measurement: Ki = 3500 nM (pChEMBL 5.460000038146973)
Descriptors: MW 306.37, ALogP 3.58, HBA 3, HBD 1, PSA 46.61, QED 0.8
Compound (SMILES): c1ccc(C2NCCc3c2[nH]c2ccccc32)cc1
InChIKey: INERHEQVAVQJBO-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: P34969
Assay: Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells
Measurement: Ki = 97000 nM (pChEMBL 4.010000228881836)
Descriptors: MW 248.33, ALogP 3.4, HBA 1, HBD 2, PSA 27.82, QED 0.68
Compound (SMILES): COc1cccc(C2NCCc3c2[nH]c2ccccc32)c1
InChIKey: LACQLKYZMSEMTM-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: P34969
Assay: Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells
Measurement: Ki = 1700 nM (pChEMBL 5.769999980926514)
Descriptors: MW 278.36, ALogP 3.41, HBA 2, HBD 2, PSA 37.05, QED 0.75
Compound (SMILES): COc1ccc2[nH]c3c(c2c1)CCN=C3c1cc([N+](=O)[O-])cn1C
InChIKey: LGTFLTXJSPOWDA-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: P34969
Assay: Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells
Measurement: Ki = 7800 nM (pChEMBL 5.110000133514404)
Descriptors: MW 324.34, ALogP 2.82, HBA 5, HBD 1, PSA 85.45, QED 0.59
Compound (SMILES): COc1cccc(CC2NCCc3c2[nH]c2ccc(OC)cc32)c1
InChIKey: RVMXCARDLOKQQD-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: P34969
Assay: Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells
Measurement: Ki = 45 nM (pChEMBL 7.349999904632568)
Descriptors: MW 322.41, ALogP 3.61, HBA 3, HBD 2, PSA 46.28, QED 0.77
Compound (SMILES): COc1ccc2[nH]c3c(c2c1)CCNC3Cc1ccc2c(c1)OCO2
InChIKey: GSJJDYOIKNLJCL-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: P34969
Assay: Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells
Measurement: Ki = 36 nM (pChEMBL 7.440000057220459)
Descriptors: MW 336.39, ALogP 3.33, HBA 4, HBD 2, PSA 55.51, QED 0.77
Compound (SMILES): CCCSc1ccccc1CC1NCCc2c1[nH]c1ccccc21
InChIKey: YFRIVUKULQQDNN-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: P34969
Assay: Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells
Measurement: Ki = 20 nM (pChEMBL 7.699999809265137)
Descriptors: MW 336.5, ALogP 5.1, HBA 2, HBD 2, PSA 27.82, QED 0.63
Compound (SMILES): CSc1ccccc1CC1NCCc2c1[nH]c1ccccc21
InChIKey: WMZQUSIXJTZPOX-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: P34969
Assay: Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells
Measurement: Ki = 35 nM (pChEMBL 7.460000038146973)
Descriptors: MW 308.45, ALogP 4.32, HBA 2, HBD 2, PSA 27.82, QED 0.71
Compound (SMILES): CSc1ccc(CC2NCCc3c2[nH]c2ccccc32)cc1
InChIKey: LZTWMUALJKFQJM-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: P34969
Assay: Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells
Measurement: Ki = 170 nM (pChEMBL 6.769999980926514)
Descriptors: MW 308.45, ALogP 4.32, HBA 2, HBD 2, PSA 27.82, QED 0.71
Compound (SMILES): Oc1c(F)cccc1CC1NCCc2c1[nH]c1ccccc21
InChIKey: NDFDVDHMWQFTIH-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: P34969
Assay: Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells
Measurement: Ki = 46 nM (pChEMBL 7.340000152587891)
Descriptors: MW 296.35, ALogP 3.44, HBA 2, HBD 3, PSA 48.05, QED 0.68
Compound (SMILES): CC(=O)OC1CCCc2ccc(/N=C/N3CCc4ccccc4C3)cc21
InChIKey: ASMHEURTLBOCKH-HZHRSRAPSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: P34969
Assay: Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells
Measurement: Ki = 200 nM (pChEMBL 6.699999809265137)
Descriptors: MW 348.45, ALogP 4.35, HBA 3, HBD 0, PSA 41.9, QED 0.47
Compound (SMILES): COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)N(C(=O)OC(C)(C)C)CC3)CC2
InChIKey: VZZJAZOBBQGWCX-WGOQTCKBSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: P34969
Assay: Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells
Measurement: Ki = 2200 nM (pChEMBL 5.659999847412109)
Descriptors: MW 437.54, ALogP 4.72, HBA 5, HBD 0, PSA 63.6, QED 0.51
Compound (SMILES): COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C(OC(C)=O)CCC3)CC2
InChIKey: LHDVHKCXIMBGFK-MFKUBSTISA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: P34969
Assay: Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells
Measurement: Ki = 400 nM (pChEMBL 6.400000095367432)
Descriptors: MW 408.5, ALogP 4.36, HBA 5, HBD 0, PSA 60.36, QED 0.42
Compound (SMILES): COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C(OC(C)=O)CCCC3)CC2
InChIKey: NPYZSFJJFCSMMV-WGOQTCKBSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: P34969
Assay: Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells
Measurement: Ki = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 422.53, ALogP 4.75, HBA 5, HBD 0, PSA 60.36, QED 0.3
Compound (SMILES): CCCOC1CCCc2ccc(/N=C/N3CCc4cc(OC)c(OC)cc4C3)cc21
InChIKey: NEMWODFZWVJHSL-YZSQISJMSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: P34969
Assay: Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells
Measurement: Ki = 5300 nM (pChEMBL 5.28000020980835)
Descriptors: MW 408.54, ALogP 5.23, HBA 4, HBD 0, PSA 43.29, QED 0.46
Compound (SMILES): COC(=O)N1CCc2ccc(/N=C/N3CCc4cc(OC)c(OC)cc4C3)cc21
InChIKey: SHARLZVPHXBHLQ-OEAKJJBVSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: P34969
Assay: Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells
Measurement: Ki = 25000 nM (pChEMBL 4.599999904632568)
Descriptors: MW 395.46, ALogP 3.55, HBA 5, HBD 0, PSA 63.6, QED 0.59
Compound (SMILES): COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C(O)CC3)CC2
InChIKey: KVNUZHZCPXXATF-LPYMAVHISA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: P34969
Assay: Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells
Measurement: Ki = 400 nM (pChEMBL 6.400000095367432)
Descriptors: MW 352.43, ALogP 3.4, HBA 4, HBD 1, PSA 54.29, QED 0.68
Compound (SMILES): OC1CCc2ccc(/N=C/N3CCc4ccccc4C3)cc21
InChIKey: NRDCOYNEQGSTGB-DEDYPNTBSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: P34969
Assay: Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells
Measurement: Ki = 2700 nM (pChEMBL 5.570000171661377)
Descriptors: MW 292.38, ALogP 3.38, HBA 2, HBD 1, PSA 35.83, QED 0.68
Compound (SMILES): COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C(OC(C)=O)CC3)CC2
InChIKey: FJNBHLSWNGPZQQ-ZVHZXABRSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: P34969
Assay: Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells
Measurement: Ki = 1000 nM (pChEMBL 6)
Descriptors: MW 394.47, ALogP 3.97, HBA 5, HBD 0, PSA 60.36, QED 0.44
Compound (SMILES): CC(=O)OC1CCc2ccc(/N=C/N3CCc4ccccc4C3)cc21
InChIKey: NIBSKZAKNHPDAI-HYARGMPZSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: P34969
Assay: Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells
Measurement: Ki = 100 nM (pChEMBL 7)
Descriptors: MW 334.42, ALogP 3.96, HBA 3, HBD 0, PSA 41.9, QED 0.48
Compound (SMILES): COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C1SCCSC1CC3)CC2
InChIKey: DDGNZGCNNSGECT-MFKUBSTISA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: P34969
Assay: Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells
Measurement: Ki = 300 nM (pChEMBL 6.519999980926514)
Descriptors: MW 440.63, ALogP 5.26, HBA 5, HBD 0, PSA 34.06, QED 0.48
Compound (SMILES): CCCCSC1=CCc2ccc(/N=C/N3CCc4cc(OC)c(OC)cc4C3)cc21
InChIKey: KOZRBQCYGNKIJD-YZSQISJMSA-N
Target: Muscarinic acetylcholine receptor M4 (SINGLE PROTEIN), Homo sapiens
UniProt: P08173
Assay: Displacement of [3H]N-methylscopolamine from muscarinic M4 receptor
Measurement: Ki = 11000 nM (pChEMBL 4.960000038146973)
Descriptors: MW 422.59, ALogP 5.85, HBA 4, HBD 0, PSA 34.06, QED 0.3
Compound (SMILES): CCCCSC1CCc2ccc(/N=C/N3CCc4cc(OC)c(OC)cc4C3)cc21
InChIKey: FRMIPKWMBQUOCY-YZSQISJMSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: P34969
Assay: Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells
Measurement: Ki = 36000 nM (pChEMBL 4.440000057220459)
Descriptors: MW 424.61, ALogP 5.94, HBA 4, HBD 0, PSA 34.06, QED 0.3
Compound (SMILES): COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C(O)CCCC3)CC2
InChIKey: LPLBLTITXDCEAW-BUVRLJJBSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: P34969
Assay: Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells
Measurement: Ki = 800 nM (pChEMBL 6.099999904632568)
Descriptors: MW 380.49, ALogP 4.18, HBA 4, HBD 1, PSA 54.29, QED 0.49
Compound (SMILES): COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C1SCCSC1C3)CC2
InChIKey: IVOXPEAHOOVZCL-ZVHZXABRSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: P34969
Assay: Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells
Measurement: Ki = 200 nM (pChEMBL 6.699999809265137)
Descriptors: MW 426.61, ALogP 4.87, HBA 5, HBD 0, PSA 34.06, QED 0.51
Compound (SMILES): CC(=O)OC1CCc2ccc(/N=C/N(C)Cc3ccccc3)cc21
InChIKey: LGWSPIADNFUMJB-KGENOOAVSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: P34969
Assay: Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells
Measurement: Ki = 100 nM (pChEMBL 7)
Descriptors: MW 322.41, ALogP 4.03, HBA 3, HBD 0, PSA 41.9, QED 0.47
Compound (SMILES): CN(/C=N/c1ccc2c(c1)C(O)CC2)Cc1ccccc1
InChIKey: PCAYXHCOLDZGEL-CPNJWEJPSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: P34969
Assay: Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells
Measurement: Ki = 3600 nM (pChEMBL 5.440000057220459)
Descriptors: MW 280.37, ALogP 3.46, HBA 2, HBD 1, PSA 35.83, QED 0.69
Compound (SMILES): CN1CCN(C(=O)c2cc(Oc3ccc(Cl)cc3)c3c(c2)c2ccccc2n3CC2CCNCC2)CC1
InChIKey: SJYNPVUODRUKRP-UHFFFAOYSA-N
Target: Neuropeptide Y receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P25929
Assay: Displacement of [125]peptide YY from human recombinant Y1 receptor expressed in CHO cells
Measurement: IC50 = 16 nM (pChEMBL 7.800000190734863)
Descriptors: MW 517.07, ALogP 5.63, HBA 5, HBD 1, PSA 49.74, QED 0.37
Compound (SMILES): CN1CCC(Cn2c3ccccc3c3cc(C(=O)N4CCN(C)CC4)cc(Oc4ccc(Cl)cc4)c32)CC1
InChIKey: QQSBLRVDNSHDAC-UHFFFAOYSA-N
Target: Neuropeptide Y receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P25929
Assay: Displacement of [125]peptide YY from human recombinant Y1 receptor expressed in CHO cells
Measurement: IC50 = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 531.1, ALogP 5.97, HBA 5, HBD 0, PSA 40.95, QED 0.32
Compound (SMILES): CN1CCN(C(=O)c2cc(Oc3ccc(Cl)cc3)c3c(c2)c2ccccc2n3C[C@@H]2CCNC[C@@H]2F)CC1
InChIKey: FXNLHVHHXHWVOF-FNZWTVRRSA-N
Target: Neuropeptide Y receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P25929
Assay: Displacement of [125]peptide YY from human recombinant Y1 receptor expressed in CHO cells
Measurement: IC50 = 51 nM (pChEMBL 7.289999961853027)
Descriptors: MW 535.06, ALogP 5.58, HBA 5, HBD 1, PSA 49.74, QED 0.36
Compound (SMILES): CN1CCN(C(=O)c2cc(Oc3ccc(Cl)cc3)c3c(c2)c2ccccc2n3C[C@@H]2CCN(C)C[C@@H]2F)CC1
InChIKey: MZINAXOPBUWVQD-IDISGSTGSA-N
Target: Neuropeptide Y receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P25929
Assay: Displacement of [125]peptide YY from human recombinant Y1 receptor expressed in CHO cells
Measurement: IC50 = 28 nM (pChEMBL 7.550000190734863)
Descriptors: MW 549.09, ALogP 5.92, HBA 5, HBD 0, PSA 40.95, QED 0.31
Compound (SMILES): CN1CCN(C(=O)c2cc(Oc3ccc(Cl)cc3)c3c(c2)c2ccccc2n3C[C@@H]2CCNC[C@H]2F)CC1
InChIKey: FXNLHVHHXHWVOF-RXFWQSSRSA-N
Target: Neuropeptide Y receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P25929
Assay: Displacement of [125]peptide YY from human recombinant Y1 receptor expressed in CHO cells
Measurement: IC50 = 53 nM (pChEMBL 7.28000020980835)
Descriptors: MW 535.06, ALogP 5.58, HBA 5, HBD 1, PSA 49.74, QED 0.36
Compound (SMILES): CN1CCN(C(=O)c2cc(Oc3ccc(Cl)cc3)c3c(c2)c2ccccc2n3C[C@@H]2CCN(C)C[C@H]2F)CC1
InChIKey: MZINAXOPBUWVQD-KDYSTLNUSA-N
Target: Neuropeptide Y receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P25929
Assay: Displacement of [125]peptide YY from human recombinant Y1 receptor expressed in CHO cells
Measurement: IC50 = 95 nM (pChEMBL 7.019999980926514)
Descriptors: MW 549.09, ALogP 5.92, HBA 5, HBD 0, PSA 40.95, QED 0.31
Compound (SMILES): CN1CCN(C(=O)c2cc(Oc3ccc(Cl)cc3)c3c(c2)c2ccccc2n3CC2CCCNC2)CC1
InChIKey: WDBDCRKFWGOAAP-UHFFFAOYSA-N
Target: Neuropeptide Y receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P25929
Assay: Displacement of [125]peptide YY from human recombinant Y1 receptor expressed in CHO cells
Measurement: IC50 = 107 nM (pChEMBL 6.96999979019165)
Descriptors: MW 517.07, ALogP 5.63, HBA 5, HBD 1, PSA 49.74, QED 0.37
Compound (SMILES): CN1CCN(C(=O)c2cc(Oc3ccc(Cl)cc3)c3c(c2)c2ccccc2n3C[C@@H]2CCN(C3CC3)C[C@@H]2F)CC1
InChIKey: KBPLHOJDAIGXOI-ZTOMLWHTSA-N
Target: Neuropeptide Y receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P25929
Assay: Displacement of [125]peptide YY from human recombinant Y1 receptor expressed in CHO cells
Measurement: IC50 = 186 nM (pChEMBL 6.730000019073486)
Descriptors: MW 575.13, ALogP 6.45, HBA 5, HBD 0, PSA 40.95, QED 0.27
Compound (SMILES): CN1CCN(C(=O)c2cc(Oc3ccc(Cl)cc3)c3c(c2)c2ccccc2n3CC2=C(F)CNCC2)CC1
InChIKey: KZXBKQFCLBFFBT-UHFFFAOYSA-N
Target: Neuropeptide Y receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P25929
Assay: Displacement of [125]peptide YY from human recombinant Y1 receptor expressed in CHO cells
Measurement: IC50 = 43 nM (pChEMBL 7.369999885559082)
Descriptors: MW 533.05, ALogP 5.84, HBA 5, HBD 1, PSA 49.74, QED 0.35
Compound (SMILES): CN1CCN(C(=O)c2cc(Oc3ccc(Cl)cc3)c3c(c2)c2ccccc2n3CC2CCN(CC(=O)N(C)C)CC2)CC1
InChIKey: UFNQEGHYWQYWSB-UHFFFAOYSA-N
Target: Neuropeptide Y receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P25929
Assay: Displacement of [125]peptide YY from human recombinant Y1 receptor expressed in CHO cells
Measurement: IC50 = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 602.18, ALogP 5.43, HBA 6, HBD 0, PSA 61.26, QED 0.28
Compound (SMILES): CN1CCN(C(=O)c2cc(Oc3ccc(Cl)cc3)c3c(c2)c2ccccc2n3CCCN2CCCCC2)CC1
InChIKey: HOELLXZSKNZZQQ-UHFFFAOYSA-N
Target: Neuropeptide Y receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P25929
Assay: Displacement of [125]peptide YY from human recombinant Y1 receptor expressed in CHO cells
Measurement: IC50 = 50 nM (pChEMBL 7.300000190734863)
Descriptors: MW 545.13, ALogP 6.5, HBA 5, HBD 0, PSA 40.95, QED 0.27
Compound (SMILES): O=C(c1cc(Oc2ccc(Cl)cc2)c2c(c1)c1ccccc1n2C[C@@H]1CCNC[C@@H]1F)N1CCN(CCO)CC1
InChIKey: YOHSETSRMZWQJH-IDISGSTGSA-N
Target: Neuropeptide Y receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P25929
Assay: Displacement of [125]peptide YY from human recombinant Y1 receptor expressed in CHO cells
Measurement: IC50 = 832 nM (pChEMBL 6.079999923706055)
Descriptors: MW 565.09, ALogP 4.94, HBA 6, HBD 2, PSA 69.97, QED 0.33
Compound (SMILES): O=C(c1cc(Oc2ccc(Cl)cc2)c2c(c1)c1ccccc1n2C[C@@H]1CCNC[C@@H]1F)N1CCN(CC(F)(F)F)CC1
InChIKey: RSDYGTXGQLVPFB-FNZWTVRRSA-N
Target: Neuropeptide Y receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P25929
Assay: Displacement of [125]peptide YY from human recombinant Y1 receptor expressed in CHO cells
Measurement: IC50 = 9772 nM (pChEMBL 5.010000228881836)
Descriptors: MW 603.06, ALogP 6.51, HBA 5, HBD 1, PSA 49.74, QED 0.26
Compound (SMILES): O=C(c1cc(Oc2ccc(Cl)cc2)c2c(c1)c1ccccc1n2C[C@@H]1CCNC[C@@H]1F)N1CCc2[nH]cnc2C1
InChIKey: SSTGGHOOVOEJRC-DFBJGRDBSA-N
Target: Neuropeptide Y receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P25929
Assay: Displacement of [125]peptide YY from human recombinant Y1 receptor expressed in CHO cells
Measurement: IC50 = 2882 nM (pChEMBL 5.539999961853027)
Descriptors: MW 558.06, ALogP 6.11, HBA 5, HBD 2, PSA 75.18, QED 0.27
Compound (SMILES): O=C(c1cc(Oc2ccc(Cl)cc2)c2c(c1)c1ccccc1n2C[C@@H]1CCNC[C@@H]1F)N1CCn2ccnc2C1
InChIKey: XOKGJXJBSQRSGL-FNZWTVRRSA-N
Target: Neuropeptide Y receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P25929
Assay: Displacement of [125]peptide YY from human recombinant Y1 receptor expressed in CHO cells
Measurement: IC50 = 1905 nM (pChEMBL 5.71999979019165)
Descriptors: MW 558.06, ALogP 6.04, HBA 6, HBD 1, PSA 64.32, QED 0.29
Compound (SMILES): O=C(c1cc(Oc2ccc(Cl)cc2)c2c(c1)c1ccccc1n2C[C@@H]1CCNC[C@@H]1F)N1CCC(O)CC1
InChIKey: JQMKEKBWODEOQN-SIBVEZHUSA-N
Target: Neuropeptide Y receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P25929
Assay: Displacement of [125]peptide YY from human recombinant Y1 receptor expressed in CHO cells
Measurement: IC50 = 7762 nM (pChEMBL 5.110000133514404)
Descriptors: MW 536.05, ALogP 5.78, HBA 5, HBD 2, PSA 66.73, QED 0.34
Compound (SMILES): O=C(c1cc(Oc2ccc(Cl)cc2)c2c(c1)c1ccccc1n2C[C@@H]1CCNC[C@H]1F)N1CCN(C2CC2)CC1
InChIKey: DRSNERFYQQUTOQ-RBTNQOKQSA-N
Target: Neuropeptide Y receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P25929
Assay: Displacement of [125]peptide YY from human recombinant Y1 receptor expressed in CHO cells
Measurement: IC50 = 871 nM (pChEMBL 6.059999942779541)
Descriptors: MW 561.1, ALogP 6.11, HBA 5, HBD 1, PSA 49.74, QED 0.31
Compound (SMILES): Cn1cnc(NCc2ccncc2)c1C(=O)Nc1ccc2c(c1)CN=N2
InChIKey: JKYZONHPYXHZHF-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 = 6020 nM (pChEMBL 5.21999979019165)
Descriptors: MW 347.38, ALogP 3.28, HBA 7, HBD 2, PSA 96.56, QED 0.74
Compound (SMILES): Cn1cnc(NCc2ccncc2)c1C(=O)Nc1ccc2cn[nH]c2c1
InChIKey: OGYIIVAGLQNZRQ-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 = 5730 nM (pChEMBL 5.239999771118164)
Descriptors: MW 347.38, ALogP 2.56, HBA 6, HBD 3, PSA 100.52, QED 0.52
Compound (SMILES): Cn1cnc(NCc2ccncc2)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIKey: MANDXCXRMDOQBT-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 = 950 nM (pChEMBL 6.019999980926514)
Descriptors: MW 409.8, ALogP 4.35, HBA 5, HBD 2, PSA 71.84, QED 0.66
Compound (SMILES): Cn1cnc(NCc2ccncc2)c1C(=O)Nc1ccc(C(F)(F)F)c(Cl)c1
InChIKey: MNCGWHHPXZQUQI-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 = 290 nM (pChEMBL 6.539999961853027)
Descriptors: MW 409.8, ALogP 4.35, HBA 5, HBD 2, PSA 71.84, QED 0.66
Compound (SMILES): Cn1cnc(NCc2ccncc2)c1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIKey: IQOMPPZZBVEULS-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 = 370 nM (pChEMBL 6.429999828338623)
Descriptors: MW 376.25, ALogP 3.99, HBA 5, HBD 2, PSA 71.84, QED 0.71
Compound (SMILES): COc1ccc(NC(=O)c2c(NCc3ccncc3)ncn2C)cc1OC
InChIKey: NBLCRYNLAHMCIA-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 = 210 nM (pChEMBL 6.679999828338623)
Descriptors: MW 367.41, ALogP 2.7, HBA 7, HBD 2, PSA 90.3, QED 0.67
Compound (SMILES): Cn1cnc(NCc2ccncc2)c1C(=O)Nc1ccc(C(F)(F)F)c(C(F)(F)F)c1
InChIKey: IVVUEJITPKKCOQ-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 = 580 nM (pChEMBL 6.239999771118164)
Descriptors: MW 443.35, ALogP 4.72, HBA 5, HBD 2, PSA 71.84, QED 0.56
Compound (SMILES): Cn1cnc(NCc2ccncc2)c1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey: RVGGSPYQXPOZQH-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 = 740 nM (pChEMBL 6.130000114440918)
Descriptors: MW 443.35, ALogP 4.72, HBA 5, HBD 2, PSA 71.84, QED 0.56
Compound (SMILES): Cc1ccc(NC(=O)c2c(NCc3ccncc3)ncn2C)cc1C(F)(F)F
InChIKey: MRYABPQQMFYZQO-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 = 340 nM (pChEMBL 6.46999979019165)
Descriptors: MW 389.38, ALogP 4.01, HBA 5, HBD 2, PSA 71.84, QED 0.69
Compound (SMILES): CN(C)C1CCN(C(=O)c2cc(Oc3ccc(Cl)cc3)c3c(c2)c2ccccc2n3C[C@@H]2CCNC[C@H]2F)C1
InChIKey: MUFWPNXNQNHXOU-JINCXVAYSA-N
Target: Neuropeptide Y receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P25929
Assay: Displacement of [125]peptide YY from human recombinant Y1 receptor expressed in CHO cells
Measurement: IC50 = 467 nM (pChEMBL 6.329999923706055)
Descriptors: MW 549.09, ALogP 5.96, HBA 5, HBD 1, PSA 49.74, QED 0.32
Compound (SMILES): Cc1cc(NC(=O)c2c(NCc3ccncc3)ncn2C)ccc1C(F)(F)F
InChIKey: MZHJFERNDUVHJP-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 = 210 nM (pChEMBL 6.679999828338623)
Descriptors: MW 389.38, ALogP 4.01, HBA 5, HBD 2, PSA 71.84, QED 0.69
Compound (SMILES): Cc1ccc(NC(=O)c2c(NCc3ccncc3)ncn2C)c(F)c1
InChIKey: BBLPZQRAXIPHJL-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 = 840 nM (pChEMBL 6.079999923706055)
Descriptors: MW 339.37, ALogP 3.13, HBA 5, HBD 2, PSA 71.84, QED 0.75
Compound (SMILES): Cn1cnc(NCc2ccncc2)c1C(=O)NCc1ccc2c(c1)OCO2
InChIKey: VRPBUANPRQENCR-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 = 650 nM (pChEMBL 6.190000057220459)
Descriptors: MW 365.39, ALogP 2.09, HBA 7, HBD 2, PSA 90.3, QED 0.7
Compound (SMILES): Cn1ncc(NCc2cccnc2)c1C(=O)Nc1cccc(C(F)(F)F)c1
InChIKey: YCUHTMPWTWROKI-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 375.35, ALogP 3.7, HBA 5, HBD 2, PSA 71.84, QED 0.71
Compound (SMILES): Cn1ncc(NCCc2ccc3c(c2)OCO3)c1C(=O)Nc1cccc(C(F)(F)F)c1
InChIKey: BWGFZDUSGNRJEF-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 = 5290 nM (pChEMBL 5.28000020980835)
Descriptors: MW 432.4, ALogP 4.07, HBA 6, HBD 2, PSA 77.41, QED 0.61
Compound (SMILES): Cn1ncc(NCCc2ccc3c(c2)OCO3)c1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIKey: USCADKPEUOMTCP-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 432.4, ALogP 4.07, HBA 6, HBD 2, PSA 77.41, QED 0.61
Compound (SMILES): Cn1ncc(NCc2cccnc2)c1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIKey: XLKYTCIJAAWWRJ-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 375.35, ALogP 3.7, HBA 5, HBD 2, PSA 71.84, QED 0.71
Compound (SMILES): Cn1ncc(NCc2ccncc2)c1C(=O)Nc1cccc(C(F)(F)F)c1
InChIKey: XZVLUSFJLPHOIQ-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 = 750 nM (pChEMBL 6.119999885559082)
Descriptors: MW 375.35, ALogP 3.7, HBA 5, HBD 2, PSA 71.84, QED 0.71
Compound (SMILES): Cn1ncc(NCc2ccncc2)c1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIKey: KDICQMGDECIGIR-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 = 280 nM (pChEMBL 6.550000190734863)
Descriptors: MW 375.35, ALogP 3.7, HBA 5, HBD 2, PSA 71.84, QED 0.71
Compound (SMILES): Cn1ncc(NCc2ccncc2)c1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIKey: MCIJHEGABQVOTC-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 = 730 nM (pChEMBL 6.139999866485596)
Descriptors: MW 391.35, ALogP 3.58, HBA 6, HBD 2, PSA 81.07, QED 0.67
Compound (SMILES): Cn1ncc(NCc2ccncc2)c1C(=O)Nc1cccc(OC(F)(F)F)c1
InChIKey: GBUJHSNYIQJPHJ-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 = 2060 nM (pChEMBL 5.690000057220459)
Descriptors: MW 391.35, ALogP 3.58, HBA 6, HBD 2, PSA 81.07, QED 0.67
Compound (SMILES): Cn1ncc(NCc2ccncc2)c1C(=O)Nc1ccc(Cl)cc1
InChIKey: RSUAWITYBKYTAK-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 = 4580 nM (pChEMBL 5.340000152587891)
Descriptors: MW 341.8, ALogP 3.33, HBA 5, HBD 2, PSA 71.84, QED 0.75
Compound (SMILES): Cn1ncc(NCc2ccncc2)c1C(=O)Nc1cccc(Cl)c1
InChIKey: IGVLMEMISFSSAJ-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 = 2060 nM (pChEMBL 5.690000057220459)
Descriptors: MW 341.8, ALogP 3.33, HBA 5, HBD 2, PSA 71.84, QED 0.75
Compound (SMILES): Cn1ncc(NCc2ccncc2)c1C(=O)Nc1ccc(C(C)(C)C)cc1
InChIKey: YBLAYGHYSZAEPB-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 = 130 nM (pChEMBL 6.889999866485596)
Descriptors: MW 363.47, ALogP 3.98, HBA 5, HBD 2, PSA 71.84, QED 0.72
Compound (SMILES): CC(C)c1ccc(NC(=O)c2c(NCc3ccncc3)cnn2C)cc1
InChIKey: DLYDQCVZBQEHHR-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 = 290 nM (pChEMBL 6.539999961853027)
Descriptors: MW 349.44, ALogP 3.8, HBA 5, HBD 2, PSA 71.84, QED 0.71
Compound (SMILES): Cn1ncc(NCc2ccncc2)c1C(=O)Nc1ccc(-c2ccccc2)cc1
InChIKey: SEOMBCRGSYUWGG-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 383.46, ALogP 4.35, HBA 5, HBD 2, PSA 71.84, QED 0.52
Compound (SMILES): Cn1ncc(NCc2ccncc2)c1C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIKey: XWUDTHGOGXCUTB-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 399.45, ALogP 4.47, HBA 6, HBD 2, PSA 81.07, QED 0.48
Compound (SMILES): Cn1ncc(NCc2ccncc2)c1C(=O)Nc1ccc(Cc2ccccc2)cc1
InChIKey: AMRWJLPRILFZMP-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 = 5570 nM (pChEMBL 5.25)
Descriptors: MW 397.48, ALogP 4.27, HBA 5, HBD 2, PSA 71.84, QED 0.49
Compound (SMILES): Cn1ncc(NCc2ccncc2)c1C(=O)Nc1cnc2ccccc2c1
InChIKey: RKOKKJNHWVYIIF-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 = 280 nM (pChEMBL 6.550000190734863)
Descriptors: MW 358.41, ALogP 3.23, HBA 6, HBD 2, PSA 84.73, QED 0.57
Compound (SMILES): Cn1ncc(NCc2ccncc2)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIKey: OJRJMVSTODBILF-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 = 1130 nM (pChEMBL 5.949999809265137)
Descriptors: MW 409.8, ALogP 4.35, HBA 5, HBD 2, PSA 71.84, QED 0.66
Compound (SMILES): Cn1ncc(NCc2ccncc2)c1C(=O)Nc1ccc(C(F)(F)F)c(Cl)c1
InChIKey: CNWRDLKCPGZLLP-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 = 210 nM (pChEMBL 6.679999828338623)
Descriptors: MW 409.8, ALogP 4.35, HBA 5, HBD 2, PSA 71.84, QED 0.66
Compound (SMILES): Cn1ncc(NCc2ccncc2)c1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIKey: SQWAVDLFFUTGHT-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 = 250 nM (pChEMBL 6.599999904632568)
Descriptors: MW 376.25, ALogP 3.99, HBA 5, HBD 2, PSA 71.84, QED 0.71
Compound (SMILES): COc1ccc(NC(=O)c2c(NCc3ccncc3)cnn2C)cc1OC
InChIKey: TXLNOFRGNOWXJK-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 = 350 nM (pChEMBL 6.460000038146973)
Descriptors: MW 367.41, ALogP 2.7, HBA 7, HBD 2, PSA 90.3, QED 0.67
Compound (SMILES): CN(C)CCNC(=O)c1cc(Oc2ccc(Cl)cc2)c2c(c1)c1ccccc1n2C[C@@H]1CCNC[C@H]1F
InChIKey: LCZSVWVBTWTZNJ-UQBPGWFLSA-N
Target: Neuropeptide Y receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P25929
Assay: Displacement of [125]peptide YY from human recombinant Y1 receptor expressed in CHO cells
Measurement: IC50 = 50 nM (pChEMBL 7.300000190734863)
Descriptors: MW 523.05, ALogP 5.48, HBA 5, HBD 2, PSA 58.53, QED 0.32
Compound (SMILES): CN(C)CCN(C)C(=O)c1cc(Oc2ccc(Cl)cc2)c2c(c1)c1ccccc1n2C[C@@H]1CCNC[C@H]1F
InChIKey: SMIKFMIKCWKYSM-RXFWQSSRSA-N
Target: Neuropeptide Y receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P25929
Assay: Displacement of [125]peptide YY from human recombinant Y1 receptor expressed in CHO cells
Measurement: IC50 = 191 nM (pChEMBL 6.71999979019165)
Descriptors: MW 537.08, ALogP 5.82, HBA 5, HBD 1, PSA 49.74, QED 0.31
Compound (SMILES): Cn1ncc(NCc2ccncc2)c1C(=O)Nc1ccc(C(F)(F)F)c(C(F)(F)F)c1
InChIKey: CXDIVNNNEZJXQW-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 = 840 nM (pChEMBL 6.079999923706055)
Descriptors: MW 443.35, ALogP 4.72, HBA 5, HBD 2, PSA 71.84, QED 0.56
Compound (SMILES): CCN1CCCC1CNC(=O)c1cc(Oc2ccc(Cl)cc2)c2c(c1)c1ccccc1n2C[C@@H]1CCNC[C@H]1F
InChIKey: ZEVOVEIYFPOJLM-QDGAEUMWSA-N
Target: Neuropeptide Y receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P25929
Assay: Displacement of [125]peptide YY from human recombinant Y1 receptor expressed in CHO cells
Measurement: IC50 = 263 nM (pChEMBL 6.579999923706055)
Descriptors: MW 563.12, ALogP 6.4, HBA 5, HBD 2, PSA 58.53, QED 0.26
Compound (SMILES): CN1CCCC1CCNC(=O)c1cc(Oc2ccc(Cl)cc2)c2c(c1)c1ccccc1n2C[C@@H]1CCNC[C@H]1F
InChIKey: GTXLIDBURRGFMW-QDGAEUMWSA-N
Target: Neuropeptide Y receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P25929
Assay: Displacement of [125]peptide YY from human recombinant Y1 receptor expressed in CHO cells
Measurement: IC50 = 1862 nM (pChEMBL 5.730000019073486)
Descriptors: MW 563.12, ALogP 6.4, HBA 5, HBD 2, PSA 58.53, QED 0.26
Compound (SMILES): CN(C)C(=O)c1cc(Oc2ccc(Cl)cc2)c2c(c1)c1ccccc1n2C[C@@H]1CCNC[C@H]1F
InChIKey: PEYOMDPJARZSIW-GAJHUEQPSA-N
Target: Neuropeptide Y receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P25929
Assay: Displacement of [125]peptide YY from human recombinant Y1 receptor expressed in CHO cells
Measurement: IC50 = 12022 nM (pChEMBL 4.920000076293945)
Descriptors: MW 479.98, ALogP 5.89, HBA 4, HBD 1, PSA 46.5, QED 0.39
Compound (SMILES): Cn1ncc(NCc2ccncc2)c1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey: TVJVGUKOYAEUMF-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 = 1120 nM (pChEMBL 5.949999809265137)
Descriptors: MW 443.35, ALogP 4.72, HBA 5, HBD 2, PSA 71.84, QED 0.56
Compound (SMILES): Cc1ccc(NC(=O)c2c(NCc3ccncc3)cnn2C)cc1C(F)(F)F
InChIKey: APNXAJAHRAPJHH-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 = 660 nM (pChEMBL 6.179999828338623)
Descriptors: MW 389.38, ALogP 4.01, HBA 5, HBD 2, PSA 71.84, QED 0.69
Compound (SMILES): Cc1cc(NC(=O)c2c(NCc3ccncc3)cnn2C)ccc1C(F)(F)F
InChIKey: YSSBFDUPJYHIMF-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 = 330 nM (pChEMBL 6.480000019073486)
Descriptors: MW 389.38, ALogP 4.01, HBA 5, HBD 2, PSA 71.84, QED 0.69
Compound (SMILES): Cc1noc(NCc2ccncc2)c1C(=O)Nc1cccc(C(F)(F)F)c1
InChIKey: WXIOZJSXVMCDEF-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 = 1560 nM (pChEMBL 5.809999942779541)
Descriptors: MW 376.34, ALogP 4.26, HBA 5, HBD 2, PSA 80.05, QED 0.7
Compound (SMILES): Cc1noc(NCc2ccncc2)c1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIKey: WJZJOYFICBHWRB-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 = 370 nM (pChEMBL 6.429999828338623)
Descriptors: MW 376.34, ALogP 4.26, HBA 5, HBD 2, PSA 80.05, QED 0.7
Compound (SMILES): Cc1noc(NCc2ccncc2)c1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIKey: LOIFMQKKMVMVNT-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 = 2120 nM (pChEMBL 5.670000076293945)
Descriptors: MW 392.34, ALogP 4.14, HBA 6, HBD 2, PSA 89.28, QED 0.66
Compound (SMILES): Cc1noc(NCc2ccncc2)c1C(=O)Nc1cccc(OC(F)(F)F)c1
InChIKey: HIVRIAMFVGJSGK-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 = 5660 nM (pChEMBL 5.25)
Descriptors: MW 392.34, ALogP 4.14, HBA 6, HBD 2, PSA 89.28, QED 0.66
Compound (SMILES): Cc1noc(NCc2ccncc2)c1C(=O)Nc1ccc(Cl)cc1
InChIKey: PDUJWTVHHXPQBR-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 342.79, ALogP 3.9, HBA 5, HBD 2, PSA 80.05, QED 0.73
Compound (SMILES): Cc1noc(NCc2ccncc2)c1C(=O)Nc1cccc(Cl)c1
InChIKey: FVAVGHXTOCNEKV-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: Inhibition of VEGFR1 by HTRF assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 342.79, ALogP 3.9, HBA 5, HBD 2, PSA 80.05, QED 0.73