lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): C=C(C)CN1C(=O)CC[C@H]1C(=O)NCc1ccc(F)cc1Cl
InChIKey: KMOLTUAVIKNTBH-AWEZNQCLSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 398.11 nM (pChEMBL 6.400000095367432)
Descriptors: MW 324.78, ALogP 2.66, HBA 2, HBD 1, PSA 49.41, QED 0.85
Compound (SMILES): Cc1ccc(-n2nc(C)c(CC(=O)NCc3ccc(F)cc3Cl)c2C)cn1
InChIKey: CHYGOHRACGNCTQ-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 251.19 nM (pChEMBL 6.599999904632568)
Descriptors: MW 386.86, ALogP 3.84, HBA 4, HBD 1, PSA 59.81, QED 0.72
Compound (SMILES): Cc1nn(Cc2ccccn2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIKey: NBZWXFFONLXJSR-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 398.11 nM (pChEMBL 6.400000095367432)
Descriptors: MW 386.86, ALogP 3.59, HBA 4, HBD 1, PSA 59.81, QED 0.7
Compound (SMILES): Cc1nn(C(C)(C)C)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIKey: GXXAARCZUCJHQV-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 398.11 nM (pChEMBL 6.400000095367432)
Descriptors: MW 351.85, ALogP 3.91, HBA 3, HBD 1, PSA 46.92, QED 0.91
Compound (SMILES): Cc1nn(CCN2CCOCC2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIKey: RIMQJJGAZNXXEY-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 251.19 nM (pChEMBL 6.599999904632568)
Descriptors: MW 408.91, ALogP 2.48, HBA 5, HBD 1, PSA 59.39, QED 0.76
Compound (SMILES): Cc1ccc(-n2nc(C)c(CC(=O)NCc3ccc(F)cc3Cl)c2C)c(C)n1
InChIKey: QLNNNKURSZWILX-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 398.11 nM (pChEMBL 6.400000095367432)
Descriptors: MW 400.89, ALogP 4.15, HBA 4, HBD 1, PSA 59.81, QED 0.7
Compound (SMILES): Cc1ccncc1-n1nc(C)c(CC(=O)NCc2ccc(F)cc2Cl)c1C
InChIKey: ZDGQTMIWBNUZOJ-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 398.11 nM (pChEMBL 6.400000095367432)
Descriptors: MW 386.86, ALogP 3.84, HBA 4, HBD 1, PSA 59.81, QED 0.72
Compound (SMILES): Cc1cc(-n2nc(C)c(CC(=O)NCc3ccc(F)cc3Cl)c2C)ccn1
InChIKey: JDBNULPMLASKRM-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 316.23 nM (pChEMBL 6.5)
Descriptors: MW 386.86, ALogP 3.84, HBA 4, HBD 1, PSA 59.81, QED 0.72
Compound (SMILES): CCN(CC)CCn1nc(C)c(CC(=O)NCc2ccc(F)cc2Cl)c1C
InChIKey: AFCVRHQPJLQSJS-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 199.53 nM (pChEMBL 6.699999809265137)
Descriptors: MW 394.92, ALogP 3.49, HBA 4, HBD 1, PSA 50.16, QED 0.71
Compound (SMILES): Cc1nn(CCN2CCCCC2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIKey: XYINRPDNNRDMAZ-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 50.12 nM (pChEMBL 7.300000190734863)
Descriptors: MW 406.93, ALogP 3.64, HBA 4, HBD 1, PSA 50.16, QED 0.76
Compound (SMILES): Cc1nn(CCN2CCCC2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIKey: VXZLQLSKMSLTMN-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 125.89 nM (pChEMBL 6.900000095367432)
Descriptors: MW 392.91, ALogP 3.25, HBA 4, HBD 1, PSA 50.16, QED 0.79
Compound (SMILES): Cc1ccccc1-n1cc(CC(=O)NCc2ccc(F)cc2Cl)cn1
InChIKey: WWUVYPIINCGEHT-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 630.96 nM (pChEMBL 6.199999809265137)
Descriptors: MW 357.82, ALogP 3.83, HBA 3, HBD 1, PSA 46.92, QED 0.75
Compound (SMILES): CCc1ccccc1-n1cc(CC(=O)NCc2ccc(F)cc2Cl)cn1
InChIKey: SWGPNOLHFQMDOW-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 251.19 nM (pChEMBL 6.599999904632568)
Descriptors: MW 371.84, ALogP 4.09, HBA 3, HBD 1, PSA 46.92, QED 0.71
Compound (SMILES): Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1cccc(Cl)c1C
InChIKey: JHUUWFXLBGFLGI-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 31.62 nM (pChEMBL 7.5)
Descriptors: MW 367.88, ALogP 4.31, HBA 3, HBD 1, PSA 46.92, QED 0.73
Compound (SMILES): Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1ccc(F)c(F)c1
InChIKey: FVVYSALYWJPPNU-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 251.19 nM (pChEMBL 6.599999904632568)
Descriptors: MW 355.39, ALogP 3.63, HBA 3, HBD 1, PSA 46.92, QED 0.76
Compound (SMILES): Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1ccc(F)c(F)c1F
InChIKey: CQVSLOQKVIUCOO-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 63.1 nM (pChEMBL 7.199999809265137)
Descriptors: MW 373.38, ALogP 3.77, HBA 3, HBD 1, PSA 46.92, QED 0.69
Compound (SMILES): O=C1C(=O)N(c2cccc3c2CCCC3)CCN1Cc1ccc(F)cc1Cl
InChIKey: PLNPDJOUHGJTFJ-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 50.12 nM (pChEMBL 7.300000190734863)
Descriptors: MW 386.85, ALogP 3.73, HBA 2, HBD 0, PSA 40.62, QED 0.75
Compound (SMILES): O=C1C(=O)N(c2cccc(N3CCOCC3)c2)CCN1Cc1ccc(F)cc1Cl
InChIKey: BEHPCZLTNJSJAZ-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 251.19 nM (pChEMBL 6.599999904632568)
Descriptors: MW 417.87, ALogP 2.69, HBA 4, HBD 0, PSA 53.09, QED 0.72
Compound (SMILES): O=C1C(=O)N(c2ccccc2N2CCOCC2)CCN1Cc1ccc(F)cc1Cl
InChIKey: RJCXGKSSGJQYRM-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 125.89 nM (pChEMBL 6.900000095367432)
Descriptors: MW 417.87, ALogP 2.69, HBA 4, HBD 0, PSA 53.09, QED 0.72
Compound (SMILES): CN1C(=O)N(c2ncccn2)CC1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIKey: VEJSCJTUSBXATQ-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 3.162 nM (pChEMBL 8.5)
Descriptors: MW 413.79, ALogP 2.71, HBA 4, HBD 1, PSA 78.43, QED 0.84
Compound (SMILES): O=C1C(=O)N(c2cccc3cccnc23)CCN1Cc1ccc(F)cc1Cl
InChIKey: LJXVCXCTQMPTAF-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 383.81, ALogP 3.4, HBA 3, HBD 0, PSA 53.51, QED 0.65
Compound (SMILES): Cc1ccccc1N1CCN(C(C)c2ccc(Cl)cc2Cl)C(=O)C1=O
InChIKey: JZBRFCLMCFRNQO-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 31.62 nM (pChEMBL 7.5)
Descriptors: MW 377.27, ALogP 4.24, HBA 2, HBD 0, PSA 40.62, QED 0.75
Compound (SMILES): CN1C(=O)N(C2CCNCC2)CC1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIKey: CJXURVWMEZPCGL-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 31.62 nM (pChEMBL 7.5)
Descriptors: MW 418.85, ALogP 2.46, HBA 3, HBD 2, PSA 64.68, QED 0.79
Compound (SMILES): Cn1ncc(I)c1CC(=O)NCc1ccc(Cl)cc1Cl
InChIKey: UMZIAZCVABICLT-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 39.81 nM (pChEMBL 7.400000095367432)
Descriptors: MW 424.07, ALogP 3.19, HBA 3, HBD 1, PSA 46.92, QED 0.77
Compound (SMILES): O=C1C(=O)N(c2ccc3c(c2)OCCO3)CCN1Cc1ccc(F)cc1Cl
InChIKey: GZLSLIYZUOCWEM-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 199.53 nM (pChEMBL 6.699999809265137)
Descriptors: MW 390.8, ALogP 2.63, HBA 4, HBD 0, PSA 59.08, QED 0.76
Compound (SMILES): Cc1ccccc1N1CCN(Cc2c(F)cccc2Cl)C(=O)C1=O
InChIKey: LSPKYXQOJFILSL-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 346.79, ALogP 3.16, HBA 2, HBD 0, PSA 40.62, QED 0.8
Compound (SMILES): Cc1ccc(N2CCN(Cc3ccc(F)cc3Cl)C(=O)C2=O)c(C)c1
InChIKey: CYEYUKGUDQKIRV-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 79.43 nM (pChEMBL 7.099999904632568)
Descriptors: MW 360.82, ALogP 3.47, HBA 2, HBD 0, PSA 40.62, QED 0.79
Compound (SMILES): Cc1ccc(C)c(N2CCN(Cc3ccc(F)cc3Cl)C(=O)C2=O)c1
InChIKey: JGOHVYZESCTSNX-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 7.943 nM (pChEMBL 8.100000381469727)
Descriptors: MW 360.82, ALogP 3.47, HBA 2, HBD 0, PSA 40.62, QED 0.79
Compound (SMILES): Cc1ccc(N2CCN(Cc3ccc(F)cc3Cl)C(=O)C2=O)cc1C
InChIKey: KEXLVQNXGLXRES-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 501.19 nM (pChEMBL 6.300000190734863)
Descriptors: MW 360.82, ALogP 3.47, HBA 2, HBD 0, PSA 40.62, QED 0.79
Compound (SMILES): Cc1cc(C)cc(N2CCN(Cc3ccc(F)cc3Cl)C(=O)C2=O)c1
InChIKey: BHLPRMAAOIHWNB-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 360.82, ALogP 3.47, HBA 2, HBD 0, PSA 40.62, QED 0.79
Compound (SMILES): CN1C(=O)N(c2ccccn2)CC1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIKey: ULORBJPPJQXQHF-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 7.943 nM (pChEMBL 8.100000381469727)
Descriptors: MW 412.8, ALogP 3.31, HBA 3, HBD 1, PSA 65.54, QED 0.84
Compound (SMILES): CN1C(=O)N(c2cccnc2)CC1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIKey: HTZATOHLFYBUCX-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 12.59 nM (pChEMBL 7.900000095367432)
Descriptors: MW 412.8, ALogP 3.31, HBA 3, HBD 1, PSA 65.54, QED 0.84
Compound (SMILES): Cc1ccccc1N1CCN(Cc2c(C)cc(Cl)cc2Cl)C(=O)C1=O
InChIKey: YUWFOZRCYFPEGA-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 5.012 nM (pChEMBL 8.300000190734863)
Descriptors: MW 377.27, ALogP 3.99, HBA 2, HBD 0, PSA 40.62, QED 0.76
Compound (SMILES): Cc1ccccc1CN1CCN(c2ccccc2C)C(=O)C1=O
InChIKey: FIPDSABPJSYPBK-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 501.19 nM (pChEMBL 6.300000190734863)
Descriptors: MW 308.38, ALogP 2.68, HBA 2, HBD 0, PSA 40.62, QED 0.82
Compound (SMILES): Cc1ccccc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1=O
InChIKey: MWNGYERXTHHKAP-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 398.11 nM (pChEMBL 6.400000095367432)
Descriptors: MW 328.8, ALogP 3.02, HBA 2, HBD 0, PSA 40.62, QED 0.81
Compound (SMILES): Cc1ccccc1N1CCN(Cc2cc(Cl)ccc2Cl)C(=O)C1=O
InChIKey: GYEUCARFXXDQLH-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 363.24, ALogP 3.68, HBA 2, HBD 0, PSA 40.62, QED 0.78
Compound (SMILES): Cc1cc(F)ccc1CN1CCN(c2ccccc2C)C(=O)C1=O
InChIKey: OJMKXRXFCXLOPY-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 158.49 nM (pChEMBL 6.800000190734863)
Descriptors: MW 326.37, ALogP 2.82, HBA 2, HBD 0, PSA 40.62, QED 0.81
Compound (SMILES): Cc1c(F)cccc1N1CCN(Cc2ccc(F)cc2Cl)C(=O)C1=O
InChIKey: YRVNPLYORJOKKB-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 100 nM (pChEMBL 7)
Descriptors: MW 364.78, ALogP 3.3, HBA 2, HBD 0, PSA 40.62, QED 0.78
Compound (SMILES): COc1c(F)cccc1N1CCN(Cc2ccc(F)cc2Cl)C(=O)C1=O
InChIKey: HWKXPSGDCAXNDV-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 79.43 nM (pChEMBL 7.099999904632568)
Descriptors: MW 380.78, ALogP 3, HBA 3, HBD 0, PSA 49.85, QED 0.77
Compound (SMILES): Cc1ccc(F)cc1N1CCN(Cc2ccc(F)cc2Cl)C(=O)C1=O
InChIKey: VRFDWWFHMAXFSH-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 39.81 nM (pChEMBL 7.400000095367432)
Descriptors: MW 364.78, ALogP 3.3, HBA 2, HBD 0, PSA 40.62, QED 0.78
Compound (SMILES): Cc1ccc(C(F)(F)F)cc1N1CCN(Cc2ccc(F)cc2Cl)C(=O)C1=O
InChIKey: GRSDJMHDBKSSGF-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 50.12 nM (pChEMBL 7.300000190734863)
Descriptors: MW 414.79, ALogP 4.18, HBA 2, HBD 0, PSA 40.62, QED 0.56
Compound (SMILES): COc1ccc(C)c(N2CCN(Cc3ccc(F)cc3Cl)C(=O)C2=O)c1
InChIKey: QJYSQVJROYZYCG-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 376.82, ALogP 3.17, HBA 3, HBD 0, PSA 49.85, QED 0.77
Compound (SMILES): COc1ccc(F)cc1N1CCN(Cc2ccc(F)cc2Cl)C(=O)C1=O
InChIKey: NTTKMZTZOHUQHJ-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 100 nM (pChEMBL 7)
Descriptors: MW 380.78, ALogP 3, HBA 3, HBD 0, PSA 49.85, QED 0.77
Compound (SMILES): Cc1ccccc1N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1=O
InChIKey: LHCXOZHMRMINGU-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 15.85 nM (pChEMBL 7.800000190734863)
Descriptors: MW 363.24, ALogP 3.79, HBA 2, HBD 0, PSA 40.62, QED 0.81
Compound (SMILES): N#Cc1c(F)cccc1N1CCN(Cc2ccc(F)cc2Cl)C(=O)C1=O
InChIKey: NLQHSNYFRBZTAL-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 630.96 nM (pChEMBL 6.199999809265137)
Descriptors: MW 375.76, ALogP 2.87, HBA 3, HBD 0, PSA 64.41, QED 0.77
Compound (SMILES): Cc1ccccc1CN1CCN(c2cccc(Cl)c2Cl)C(=O)C1=O
InChIKey: GMJKGHCTHHFXML-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 251.19 nM (pChEMBL 6.599999904632568)
Descriptors: MW 363.24, ALogP 3.68, HBA 2, HBD 0, PSA 40.62, QED 0.78
Compound (SMILES): O=C1C(=O)N(c2cccc(Cl)c2Cl)CCN1Cc1ccccc1Cl
InChIKey: HSVBNGCQUNARQR-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 199.53 nM (pChEMBL 6.699999809265137)
Descriptors: MW 383.66, ALogP 4.02, HBA 2, HBD 0, PSA 40.62, QED 0.75
Compound (SMILES): O=C1C(=O)N(c2cccc(Cl)c2Cl)CCN1Cc1cccc(Cl)c1
InChIKey: GTQTWDSGJSPBMX-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 501.19 nM (pChEMBL 6.300000190734863)
Descriptors: MW 383.66, ALogP 4.02, HBA 2, HBD 0, PSA 40.62, QED 0.75
Compound (SMILES): O=C1C(=O)N(c2cccc(Cl)c2Cl)CCN1Cc1ccc(Cl)cc1
InChIKey: LPJRBVPOCCRJLR-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 794.33 nM (pChEMBL 6.099999904632568)
Descriptors: MW 383.66, ALogP 4.02, HBA 2, HBD 0, PSA 40.62, QED 0.75
Compound (SMILES): CCN1C(=O)CC[C@H]1C(=O)NCc1ccccc1C#N
InChIKey: KPYQTDDDXREZJU-ZDUSSCGKSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 630.96 nM (pChEMBL 6.199999809265137)
Descriptors: MW 271.32, ALogP 1.19, HBA 3, HBD 1, PSA 73.2, QED 0.89
Compound (SMILES): CCN1C(=O)CC[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1C#N
InChIKey: ARZOBCVPNCJJCR-ZDUSSCGKSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 3.162 nM (pChEMBL 8.5)
Descriptors: MW 339.32, ALogP 2.2, HBA 3, HBD 1, PSA 73.2, QED 0.91
Compound (SMILES): C[C@H]1CC(=O)N(C)[C@@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIKey: SELUVRPLQXSAEF-SDBXPKJASA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 100 nM (pChEMBL 7)
Descriptors: MW 348.75, ALogP 2.84, HBA 2, HBD 1, PSA 49.41, QED 0.91
Compound (SMILES): C[C@@H]1CC(=O)N(C)[C@@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIKey: SELUVRPLQXSAEF-OQPBUACISA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 15.85 nM (pChEMBL 7.800000190734863)
Descriptors: MW 348.75, ALogP 2.84, HBA 2, HBD 1, PSA 49.41, QED 0.91
Compound (SMILES): CN1C(=O)CC[C@@H]1C(=O)NCc1ccc(Cl)cc1Cl
InChIKey: YMNOJCVLDDTECB-LLVKDONJSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 50.12 nM (pChEMBL 7.300000190734863)
Descriptors: MW 301.17, ALogP 2.23, HBA 2, HBD 1, PSA 49.41, QED 0.93
Compound (SMILES): CC(C)(C)CN1C(=O)CC[C@@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIKey: MKGPGUJIIFWSDH-CYBMUJFWSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 158.49 nM (pChEMBL 6.800000190734863)
Descriptors: MW 390.83, ALogP 4.01, HBA 2, HBD 1, PSA 49.41, QED 0.84
Compound (SMILES): CC(C)N1[C@H](C(=O)NCc2ccc(Cl)cc2Cl)CCCS1(=O)=O
InChIKey: ZLZRNUPAQCLWIY-AWEZNQCLSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 501.19 nM (pChEMBL 6.300000190734863)
Descriptors: MW 379.31, ALogP 2.81, HBA 3, HBD 1, PSA 66.48, QED 0.88
Compound (SMILES): Cc1c(Cl)cccc1CNC(=O)[C@@H]1CCCS(=O)(=O)N1C(C)C
InChIKey: GFBGQDJMTARDMH-HNNXBMFYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 630.96 nM (pChEMBL 6.199999809265137)
Descriptors: MW 358.89, ALogP 2.47, HBA 3, HBD 1, PSA 66.48, QED 0.9
Compound (SMILES): CN1[C@H](C(=O)NCc2ccc(F)cc2Cl)CCS1(=O)=O
InChIKey: ONAPJQQOGCQDEI-NSHDSACASA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 125.89 nM (pChEMBL 6.900000095367432)
Descriptors: MW 320.77, ALogP 1.13, HBA 3, HBD 1, PSA 66.48, QED 0.91
Compound (SMILES): O=C(NCc1cccc(C(F)(F)F)c1Cl)[C@H]1CCC(=O)N1Cc1ccccn1
InChIKey: BCLKPPLHWOAGKI-OAHLLOKOSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 63.1 nM (pChEMBL 7.199999809265137)
Descriptors: MW 411.81, ALogP 3.56, HBA 3, HBD 1, PSA 62.3, QED 0.82
Compound (SMILES): Cc1cccc(Cl)c1CNC(=O)[C@@H]1CCS(=O)(=O)N1C
InChIKey: APIOYGWNTCFROC-LBPRGKRZSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 398.11 nM (pChEMBL 6.400000095367432)
Descriptors: MW 316.81, ALogP 1.3, HBA 3, HBD 1, PSA 66.48, QED 0.91
Compound (SMILES): CN1[C@H](C(=O)NCc2ccc(Cl)cc2Cl)CCS1(=O)=O
InChIKey: HUPIMGYJTSGLSA-NSHDSACASA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 31.62 nM (pChEMBL 7.5)
Descriptors: MW 337.23, ALogP 1.64, HBA 3, HBD 1, PSA 66.48, QED 0.91
Compound (SMILES): CN1C[C@@H](C(=O)NCc2cccc(C(F)(F)F)c2F)N(C)C1=O
InChIKey: IDFUDGJRKGZTRG-JTQLQIEISA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 7.943 nM (pChEMBL 8.100000381469727)
Descriptors: MW 333.29, ALogP 1.83, HBA 2, HBD 1, PSA 52.65, QED 0.86
Compound (SMILES): CN1C[C@@H](C(=O)NCc2ccc(F)c(F)c2F)N(C)C1=O
InChIKey: UPPZDUOQXRBECJ-VIFPVBQESA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 31.62 nM (pChEMBL 7.5)
Descriptors: MW 301.27, ALogP 1.09, HBA 2, HBD 1, PSA 52.65, QED 0.85
Compound (SMILES): CN1C[C@@H](C(=O)NCc2ccc(F)cc2C(F)(F)F)N(C)C1=O
InChIKey: KRUKIMJDJRHZRK-NSHDSACASA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 50.12 nM (pChEMBL 7.300000190734863)
Descriptors: MW 333.29, ALogP 1.83, HBA 2, HBD 1, PSA 52.65, QED 0.86
Compound (SMILES): CN1C[C@@H](C(=O)NCc2ccc(F)cc2Cl)N(C)C1=O
InChIKey: UJMDQONHJGKMOO-NSHDSACASA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 299.73, ALogP 1.46, HBA 2, HBD 1, PSA 52.65, QED 0.92
Compound (SMILES): CCN1[C@H](C(=O)NCc2ccccc2Cl)CCS1(=O)=O
InChIKey: QTFAZLGQFLCYMB-LBPRGKRZSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 501.19 nM (pChEMBL 6.300000190734863)
Descriptors: MW 316.81, ALogP 1.38, HBA 3, HBD 1, PSA 66.48, QED 0.91
Compound (SMILES): CC(C)N1[C@H](C(=O)NCc2ccc(F)cc2C(F)(F)F)CCS1(=O)=O
InChIKey: BIDOTMZAOXPHFI-ZDUSSCGKSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 630.96 nM (pChEMBL 6.199999809265137)
Descriptors: MW 382.38, ALogP 2.27, HBA 3, HBD 1, PSA 66.48, QED 0.81
Compound (SMILES): CN1[C@H](C(=O)NCc2ccccc2Cl)CCS1(=O)=O
InChIKey: BURKYSIPRJAMNT-NSHDSACASA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 794.33 nM (pChEMBL 6.099999904632568)
Descriptors: MW 302.78, ALogP 0.99, HBA 3, HBD 1, PSA 66.48, QED 0.91
Compound (SMILES): CN1[C@H](C(=O)NCc2ccc(F)cc2C(F)(F)F)CCS1(=O)=O
InChIKey: FXARRVIVPTZYRP-NSHDSACASA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 398.11 nM (pChEMBL 6.400000095367432)
Descriptors: MW 354.33, ALogP 1.49, HBA 3, HBD 1, PSA 66.48, QED 0.84
Compound (SMILES): Cc1cnn(CC(F)(F)F)c1CC(=O)NCc1ccc(F)c(F)c1Cl
InChIKey: CDTCZHDLYMBBJP-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 50.12 nM (pChEMBL 7.300000190734863)
Descriptors: MW 381.73, ALogP 3.54, HBA 3, HBD 1, PSA 46.92, QED 0.64
Compound (SMILES): CN1C(=O)CC[C@H]1C(=O)NCc1ccc(F)c(C(F)(F)F)c1Cl
InChIKey: YWOHHICSGIELBM-VIFPVBQESA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 3.162 nM (pChEMBL 8.5)
Descriptors: MW 352.71, ALogP 2.73, HBA 2, HBD 1, PSA 49.41, QED 0.85
Compound (SMILES): CCN1[C@H](C(=O)NCc2ccc(F)c(F)c2F)CCS1(=O)=O
InChIKey: MAUSVYPGVNFWIX-JTQLQIEISA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 251.19 nM (pChEMBL 6.599999904632568)
Descriptors: MW 336.34, ALogP 1.14, HBA 3, HBD 1, PSA 66.48, QED 0.84
Compound (SMILES): Cc1c(Cl)cccc1CNC(=O)[C@@H]1CCS(=O)(=O)N1C
InChIKey: ROBIIPMKSTWZGB-LBPRGKRZSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 100 nM (pChEMBL 7)
Descriptors: MW 316.81, ALogP 1.3, HBA 3, HBD 1, PSA 66.48, QED 0.91
Compound (SMILES): Cc1c(Cl)cccc1CNC(=O)[C@@H]1CCS(=O)(=O)N1C(C)C
InChIKey: LMAJJKPQYHMZDK-AWEZNQCLSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 251.19 nM (pChEMBL 6.599999904632568)
Descriptors: MW 344.86, ALogP 2.08, HBA 3, HBD 1, PSA 66.48, QED 0.91
Compound (SMILES): CCN1[C@H](C(=O)NCc2cccc(Cl)c2C)CCS1(=O)=O
InChIKey: XXEIBYAFAOPDHO-ZDUSSCGKSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 50.12 nM (pChEMBL 7.300000190734863)
Descriptors: MW 330.84, ALogP 1.69, HBA 3, HBD 1, PSA 66.48, QED 0.91
Compound (SMILES): CCN1[C@H](C(=O)NCc2ccc(F)cc2C(F)(F)F)CCS1(=O)=O
InChIKey: LCEOZUXKCPCITP-LBPRGKRZSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 125.89 nM (pChEMBL 6.900000095367432)
Descriptors: MW 368.35, ALogP 1.88, HBA 3, HBD 1, PSA 66.48, QED 0.83
Compound (SMILES): CC(C)N1[C@H](C(=O)NCc2ccc(F)cc2Cl)CCS1(=O)=O
InChIKey: QZQUFRFHOLWVPX-ZDUSSCGKSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 199.53 nM (pChEMBL 6.699999809265137)
Descriptors: MW 348.83, ALogP 1.91, HBA 3, HBD 1, PSA 66.48, QED 0.9
Compound (SMILES): CC(C)N1[C@H](C(=O)NCc2ccc(F)c(F)c2F)CCS1(=O)=O
InChIKey: KULSQNJVKJMJRE-NSHDSACASA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 501.19 nM (pChEMBL 6.300000190734863)
Descriptors: MW 350.36, ALogP 1.53, HBA 3, HBD 1, PSA 66.48, QED 0.84
Compound (SMILES): CCN1[C@H](C(=O)NCc2ccc(Cl)cc2Cl)CCS1(=O)=O
InChIKey: SGWFKHIYRPWFOP-LBPRGKRZSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 15.85 nM (pChEMBL 7.800000190734863)
Descriptors: MW 351.25, ALogP 2.03, HBA 3, HBD 1, PSA 66.48, QED 0.9
Compound (SMILES): CC(C)N1[C@H](C(=O)NCc2ccc(Cl)cc2Cl)CCS1(=O)=O
InChIKey: PUQFZVBGZBBOCR-ZDUSSCGKSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 50.12 nM (pChEMBL 7.300000190734863)
Descriptors: MW 365.28, ALogP 2.42, HBA 3, HBD 1, PSA 66.48, QED 0.89
Compound (SMILES): CC1CC(=O)N(C)[C@@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIKey: SELUVRPLQXSAEF-RLROJCQXSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 25.12 nM (pChEMBL 7.599999904632568)
Descriptors: MW 348.75, ALogP 2.84, HBA 2, HBD 1, PSA 49.41, QED 0.91
Compound (SMILES): CCN1C(=O)[C@@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccc(F)cc1Cl
InChIKey: WQKJWSALXUVEJU-LPHOPBHVSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 125.89 nM (pChEMBL 6.900000095367432)
Descriptors: MW 388.87, ALogP 3.58, HBA 2, HBD 1, PSA 49.41, QED 0.82
Compound (SMILES): CN1[C@H](C(=O)NCc2cccc(C(F)(F)F)c2Cl)CCS1(=O)=O
InChIKey: BWFBHAVJLYUEHY-JTQLQIEISA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 15.85 nM (pChEMBL 7.800000190734863)
Descriptors: MW 370.78, ALogP 2.01, HBA 3, HBD 1, PSA 66.48, QED 0.88
Compound (SMILES): CN1[C@H](C(=O)NCc2ccc(F)c(F)c2Cl)CCS1(=O)=O
InChIKey: ALNSHEGTDCCFTM-VIFPVBQESA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 79.43 nM (pChEMBL 7.099999904632568)
Descriptors: MW 338.76, ALogP 1.27, HBA 3, HBD 1, PSA 66.48, QED 0.84
Compound (SMILES): CCN1C(=O)[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIKey: BQJQARRAXRGQMH-AEFFLSMTSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 31.62 nM (pChEMBL 7.5)
Descriptors: MW 438.88, ALogP 4.45, HBA 2, HBD 1, PSA 49.41, QED 0.72
Compound (SMILES): O=C1C(=O)N(c2cccc(Cl)c2Cl)CCN1Cc1ccc(F)cc1Cl
InChIKey: GFBOGYSRGRBXOP-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 100 nM (pChEMBL 7)
Descriptors: MW 401.65, ALogP 4.16, HBA 2, HBD 0, PSA 40.62, QED 0.72
Compound (SMILES): Cc1cccc(N2C[C@@H](C(=O)NCc3ccc(F)cc3Cl)N(C)C2=O)n1
InChIKey: AIKVXPCPWANTNG-HNNXBMFYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 398.11 nM (pChEMBL 6.400000095367432)
Descriptors: MW 376.82, ALogP 2.74, HBA 3, HBD 1, PSA 65.54, QED 0.89
Compound (SMILES): Cc1ccc(N2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3Cl)N(C)C2=O)cn1
InChIKey: FKFZYYXETUZMDD-HNNXBMFYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 426.83, ALogP 3.62, HBA 3, HBD 1, PSA 65.54, QED 0.81
Compound (SMILES): Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(F)cc3Cl)N(C)C2=O)cn1
InChIKey: TXQFOSYFLWTOGH-INIZCTEOSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 63.1 nM (pChEMBL 7.199999809265137)
Descriptors: MW 376.82, ALogP 2.74, HBA 3, HBD 1, PSA 65.54, QED 0.89
Compound (SMILES): O=C1C(=O)N(c2cccc(I)c2)CCN1Cc1ccc(F)cc1Cl
InChIKey: NNNVTVNNGZULBO-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 398.11 nM (pChEMBL 6.400000095367432)
Descriptors: MW 458.66, ALogP 3.46, HBA 2, HBD 0, PSA 40.62, QED 0.52
Compound (SMILES): Cc1ncccc1N1C[C@@H](C(=O)NCc2ccc(F)cc2Cl)N(C)C1=O
InChIKey: DNNDMYAIIAOQNB-INIZCTEOSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 50.12 nM (pChEMBL 7.300000190734863)
Descriptors: MW 376.82, ALogP 2.74, HBA 3, HBD 1, PSA 65.54, QED 0.89
Compound (SMILES): CN1C(=O)NC[C@H]1C(=O)NCc1ccc(F)cc1Cl
InChIKey: CWWAJHZGXASUEY-JTQLQIEISA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 39.81 nM (pChEMBL 7.400000095367432)
Descriptors: MW 285.71, ALogP 1.12, HBA 2, HBD 2, PSA 61.44, QED 0.87
Compound (SMILES): CN1C(=O)N(c2ccccn2)C[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIKey: ULORBJPPJQXQHF-ZDUSSCGKSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 6.31 nM (pChEMBL 8.199999809265137)
Descriptors: MW 412.8, ALogP 3.31, HBA 3, HBD 1, PSA 65.54, QED 0.84
Compound (SMILES): CN1C(=O)N(c2ccccn2)C[C@H]1C(=O)NCc1ccc(F)cc1Cl
InChIKey: CJQGHHKKABDBNK-AWEZNQCLSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 79.43 nM (pChEMBL 7.099999904632568)
Descriptors: MW 362.79, ALogP 2.43, HBA 3, HBD 1, PSA 65.54, QED 0.91
Compound (SMILES): CN1C(=O)N(c2cccnc2)C[C@H]1C(=O)NCc1ccc(F)cc1Cl
InChIKey: RXTKZZNWTKXTFN-HNNXBMFYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 50.12 nM (pChEMBL 7.300000190734863)
Descriptors: MW 362.79, ALogP 2.43, HBA 3, HBD 1, PSA 65.54, QED 0.91
Compound (SMILES): Cc1cnccc1N1CCN(Cc2ccc(F)cc2Cl)C(=O)C1=O
InChIKey: BPEDKLPRKWZCCR-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 501.19 nM (pChEMBL 6.300000190734863)
Descriptors: MW 347.78, ALogP 2.56, HBA 3, HBD 0, PSA 53.51, QED 0.8
Compound (SMILES): COc1cccc(N2CCN(Cc3ccc(F)cc3Cl)C(=O)C2=O)c1C
InChIKey: KVQVJLHPYRPZDY-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 25.12 nM (pChEMBL 7.599999904632568)
Descriptors: MW 376.82, ALogP 3.17, HBA 3, HBD 0, PSA 49.85, QED 0.77
Compound (SMILES): O=C1C(=O)N(c2ccccc2Br)CCN1Cc1ccc(F)cc1Cl
InChIKey: LTSLYNQEQJJQQA-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 12.59 nM (pChEMBL 7.900000095367432)
Descriptors: MW 411.66, ALogP 3.62, HBA 2, HBD 0, PSA 40.62, QED 0.72
Compound (SMILES): Cc1ccccc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1=O
InChIKey: OVFQJCZUURUYAV-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 501.19 nM (pChEMBL 6.300000190734863)
Descriptors: MW 346.79, ALogP 3.28, HBA 2, HBD 0, PSA 40.62, QED 0.84
Compound (SMILES): Cc1cccc(N2CCN(Cc3ccc(F)cc3Cl)C(=O)C2=O)c1N1CCOCC1
InChIKey: UFKATPNLCVYBSK-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 50.12 nM (pChEMBL 7.300000190734863)
Descriptors: MW 431.9, ALogP 3, HBA 4, HBD 0, PSA 53.09, QED 0.7
Compound (SMILES): O=C1C(=O)N(c2cccc(Cl)c2N2CCOCC2)CCN1Cc1ccc(F)cc1Cl
InChIKey: BQEAGNQQEDHSGK-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 39.81 nM (pChEMBL 7.400000095367432)
Descriptors: MW 452.31, ALogP 3.34, HBA 4, HBD 0, PSA 53.09, QED 0.67
Compound (SMILES): Cc1ccc(N2CCOCC2)cc1N1CCN(Cc2ccc(F)cc2Cl)C(=O)C1=O
InChIKey: ZZLYBJFKZHPQNS-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 31.62 nM (pChEMBL 7.5)
Descriptors: MW 431.9, ALogP 3, HBA 4, HBD 0, PSA 53.09, QED 0.7
Compound (SMILES): Cc1ccc(C)c(N2CCN(Cc3ccc(F)cc3Cl)C(=O)C2=O)n1
InChIKey: KSBNKQQFUBSXJJ-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 199.53 nM (pChEMBL 6.699999809265137)
Descriptors: MW 361.8, ALogP 2.87, HBA 3, HBD 0, PSA 53.51, QED 0.79
Compound (SMILES): Cc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1=O
InChIKey: YQJBYCBDUVYFDH-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 63.1 nM (pChEMBL 7.199999809265137)
Descriptors: MW 363.24, ALogP 3.79, HBA 2, HBD 0, PSA 40.62, QED 0.81
Compound (SMILES): O=C(c1cccc(Cl)c1Cl)N1CCN(c2ccc(F)cc2)C(=O)C1
InChIKey: YKSNLIZJYFVFAK-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 100 nM (pChEMBL 7)
Descriptors: MW 367.21, ALogP 3.62, HBA 2, HBD 0, PSA 40.62, QED 0.81
Compound (SMILES): Cc1c(CN2CCOCC2)cccc1N1CCN(Cc2ccc(F)cc2Cl)C(=O)C1=O
InChIKey: RVYLLAJXRMSDEG-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 100 nM (pChEMBL 7)
Descriptors: MW 445.92, ALogP 3, HBA 4, HBD 0, PSA 53.09, QED 0.66
Compound (SMILES): Cc1ncccc1N1CCN(Cc2ccc(F)cc2Cl)C(=O)C1=O
InChIKey: AUJYZGMRNZJCJU-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 630.96 nM (pChEMBL 6.199999809265137)
Descriptors: MW 347.78, ALogP 2.56, HBA 3, HBD 0, PSA 53.51, QED 0.8
Compound (SMILES): Cc1ccccc1N1CCN(C(=O)c2cccc(C(F)(F)F)c2Cl)CC1=O
InChIKey: JPCRDNJUDBCXLV-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 396.8, ALogP 4.16, HBA 2, HBD 0, PSA 40.62, QED 0.76
Compound (SMILES): O=C(c1cccc(Cl)c1Cl)N1CCN(c2cccc(Cl)c2)C(=O)C1
InChIKey: BSNOPWWUGCZSER-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 100 nM (pChEMBL 7)
Descriptors: MW 383.66, ALogP 4.14, HBA 2, HBD 0, PSA 40.62, QED 0.78
Compound (SMILES): Cc1cccnc1N1CCN(Cc2ccc(F)cc2Cl)C(=O)C1=O
InChIKey: LCFFIDWISFJLBC-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 630.96 nM (pChEMBL 6.199999809265137)
Descriptors: MW 347.78, ALogP 2.56, HBA 3, HBD 0, PSA 53.51, QED 0.8
Compound (SMILES): CN1C(=O)N(c2ncccn2)C[C@H]1C(=O)NCc1ccc(Cl)cc1Cl
InChIKey: IXYQQHDQIWWVJI-ZDUSSCGKSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 6.31 nM (pChEMBL 8.199999809265137)
Descriptors: MW 380.24, ALogP 2.34, HBA 4, HBD 1, PSA 78.43, QED 0.88