lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CN1C(=O)N(c2ncccn2)C[C@H]1C(=O)NCc1ccc(F)cc1Cl
InChIKey: CGOYMWNKHZVDSI-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 = 25.12 nM (pChEMBL 7.599999904632568)
Descriptors: MW 363.78, ALogP 1.83, HBA 4, HBD 1, PSA 78.43, QED 0.9
Compound (SMILES): CN1C(=O)N(c2ncccn2)C[C@H]1C(=O)NCc1ccc(F)c(F)c1Cl
InChIKey: DMHRGGWODNSNQQ-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 = 7.943 nM (pChEMBL 8.100000381469727)
Descriptors: MW 381.77, ALogP 1.97, HBA 4, HBD 1, PSA 78.43, QED 0.82
Compound (SMILES): O=C1C(=O)N(c2ccccc2N2CCCCC2)CCN1Cc1ccc(F)cc1Cl
InChIKey: YOUDKABBADAYLC-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 415.9, ALogP 3.84, HBA 3, HBD 0, PSA 43.86, QED 0.71
Compound (SMILES): O=C(c1cccc(Cl)c1Cl)N1CCN(c2ccc(Cl)cc2)C(=O)C1
InChIKey: USHISRPXROWEHN-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 383.66, ALogP 4.14, HBA 2, HBD 0, PSA 40.62, QED 0.78
Compound (SMILES): Cc1c(Cl)cccc1CNC(=O)[C@@H]1CN(c2ncccn2)C(=O)N1C
InChIKey: JYKICZOIHPUBHK-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 = 7.943 nM (pChEMBL 8.100000381469727)
Descriptors: MW 359.82, ALogP 2, HBA 4, HBD 1, PSA 78.43, QED 0.91
Compound (SMILES): Cc1c(OCCN2CCOCC2)cccc1N1CCN(Cc2ccc(F)cc2Cl)C(=O)C1=O
InChIKey: NNFHRXHJDJCFKB-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 475.95, ALogP 2.87, HBA 5, HBD 0, PSA 62.32, QED 0.58
Compound (SMILES): CN1C(=O)NC[C@H]1C(=O)NCc1ccc(F)c(F)c1Cl
InChIKey: TZNQBXMMPSETQC-QMMMGPOBSA-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 = 19.95 nM (pChEMBL 7.699999809265137)
Descriptors: MW 303.7, ALogP 1.26, HBA 2, HBD 2, PSA 61.44, QED 0.83
Compound (SMILES): Cc1c(N2CCOCC2)cccc1N1CCN(Cc2ccc(F)cc2Cl)C(=O)C1=O
InChIKey: QTQQBUSRHJFFPW-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(N2CCOCC2)c(N2CCN(Cc3ccc(F)cc3Cl)C(=O)C2=O)c1
InChIKey: COVSMBICXOBRQC-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): Cc1cccnc1N1C[C@@H](C(=O)NCc2cccc(C(F)(F)F)c2Cl)N(C)C1=O
InChIKey: MZLPAAGKLFKLQG-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 = 5.012 nM (pChEMBL 8.300000190734863)
Descriptors: MW 426.83, ALogP 3.62, HBA 3, HBD 1, PSA 65.54, QED 0.81
Compound (SMILES): Cc1cccnc1N1C[C@@H](C(=O)NCc2ccc(Cl)cc2Cl)N(C)C1=O
InChIKey: YUWDRMZOHHPGHA-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 = 15.85 nM (pChEMBL 7.800000190734863)
Descriptors: MW 393.27, ALogP 3.25, HBA 3, HBD 1, PSA 65.54, QED 0.87
Compound (SMILES): Cc1cccnc1N1C[C@@H](C(=O)NCc2ccc(F)c(F)c2Cl)N(C)C1=O
InChIKey: MZIOOCCKRBJXCQ-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 = 25.12 nM (pChEMBL 7.599999904632568)
Descriptors: MW 394.81, ALogP 2.88, HBA 3, HBD 1, PSA 65.54, QED 0.81
Compound (SMILES): O=C1C(=O)N(c2ccccc2N2CCCC2)CCN1Cc1ccc(F)cc1Cl
InChIKey: PBOOVNXMGBMCNU-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 401.87, ALogP 3.45, HBA 3, HBD 0, PSA 43.86, QED 0.74
Compound (SMILES): CN1C(=O)N(c2ccnc(F)c2)C[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIKey: VDUUHYJMTFMCRF-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 = 63.1 nM (pChEMBL 7.199999809265137)
Descriptors: MW 430.79, ALogP 3.45, HBA 3, HBD 1, PSA 65.54, QED 0.6
Compound (SMILES): CC(C)c1ccnc(N2C[C@@H](C(=O)NCc3ccc(Cl)cc3Cl)N(C)C2=O)n1
InChIKey: FSHLUGQMPYNASQ-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 = 158.49 nM (pChEMBL 6.800000190734863)
Descriptors: MW 422.32, ALogP 3.46, HBA 4, HBD 1, PSA 78.43, QED 0.8
Compound (SMILES): CN1C(=O)N(c2ncccc2F)C[C@H]1C(=O)NCc1ccc(Cl)cc1Cl
InChIKey: KXMBVNNHGAKUKK-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 = 1.995 nM (pChEMBL 8.699999809265137)
Descriptors: MW 397.24, ALogP 3.08, HBA 3, HBD 1, PSA 65.54, QED 0.86
Compound (SMILES): CN1C(=O)N(CC(F)F)C[C@H]1C(=O)NCc1ccc(Cl)cc1Cl
InChIKey: ZCNKEWXABWZPAD-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 = 2.512 nM (pChEMBL 8.600000381469727)
Descriptors: MW 366.2, ALogP 2.61, HBA 2, HBD 1, PSA 52.65, QED 0.87
Compound (SMILES): CN1C(=O)N(c2ccnn2C)C[C@H]1C(=O)NCc1ccc(Cl)cc1Cl
InChIKey: STABHHSHLIRQKJ-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 = 10 nM (pChEMBL 8)
Descriptors: MW 382.25, ALogP 2.28, HBA 4, HBD 1, PSA 70.47, QED 0.88
Compound (SMILES): CN1C(=O)N(c2cccnc2C#N)C[C@H]1C(=O)NCc1ccc(Cl)cc1Cl
InChIKey: UCVJEEOZEMXUJR-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 = 31.62 nM (pChEMBL 7.5)
Descriptors: MW 404.26, ALogP 2.82, HBA 4, HBD 1, PSA 89.33, QED 0.85
Compound (SMILES): Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(Cl)cc3Cl)N(C)C2=O)nn1
InChIKey: AOTMXWYPHYGLCO-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 394.26, ALogP 2.65, HBA 4, HBD 1, PSA 78.43, QED 0.87
Compound (SMILES): CN1C(=O)N(CC(F)(F)F)C[C@H]1C(=O)NCc1ccc(Cl)cc1Cl
InChIKey: OZEVWMNUYZWROE-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 = 1.995 nM (pChEMBL 8.699999809265137)
Descriptors: MW 384.19, ALogP 2.91, HBA 2, HBD 1, PSA 52.65, QED 0.87
Compound (SMILES): CN1C(=O)N(CCF)C[C@H]1C(=O)NCc1ccc(Cl)cc1Cl
InChIKey: GQOHESCJXZFMGW-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 = 3.162 nM (pChEMBL 8.5)
Descriptors: MW 348.21, ALogP 2.32, HBA 2, HBD 1, PSA 52.65, QED 0.89
Compound (SMILES): CCN1C[C@@H](C(=O)NCc2ccc(Cl)cc2Cl)N(C)C1=O
InChIKey: FMEPQLRDTUFJSC-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 = 3.162 nM (pChEMBL 8.5)
Descriptors: MW 330.22, ALogP 2.37, HBA 2, HBD 1, PSA 52.65, QED 0.92
Compound (SMILES): O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(-c3ccccc3)cnc2C1
InChIKey: CNOMXWWUOSILOW-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 = 6.31 nM (pChEMBL 8.199999809265137)
Descriptors: MW 405.81, ALogP 4.88, HBA 3, HBD 0, PSA 38.13, QED 0.61
Compound (SMILES): CN1C(=O)NC[C@H]1C(=O)NCc1c(F)cc(Cl)cc1Cl
InChIKey: DXJBTLKNBZNICB-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 320.15, ALogP 1.77, HBA 2, HBD 2, PSA 61.44, QED 0.89
Compound (SMILES): CN1C[C@@H](C(=O)NCc2c(F)cc(Cl)cc2Cl)N(C)C1=O
InChIKey: SBAFGEFJMWOPNA-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 = 5.012 nM (pChEMBL 8.300000190734863)
Descriptors: MW 334.18, ALogP 2.11, HBA 2, HBD 1, PSA 52.65, QED 0.92
Compound (SMILES): CN1C[C@@H](C(=O)NCc2c(Cl)cc(Cl)cc2Cl)N(C)C1=O
InChIKey: FUHDHLZCYVIRFS-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 = 0.7943 nM (pChEMBL 9.100000381469727)
Descriptors: MW 350.63, ALogP 2.63, HBA 2, HBD 1, PSA 52.65, QED 0.91
Compound (SMILES): CN1C(=O)NC[C@H]1C(=O)NCc1c(Cl)cc(Cl)cc1Cl
InChIKey: UTRIUQLIHNBFHH-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 = 1.585 nM (pChEMBL 8.800000190734863)
Descriptors: MW 336.61, ALogP 2.29, HBA 2, HBD 2, PSA 61.44, QED 0.89
Compound (SMILES): CN1C(=O)N(CC2CC2)CC1C(=O)NCc1ccc(Cl)cc1Cl
InChIKey: FPSMVDUHTVKGKB-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 356.25, ALogP 2.76, HBA 2, HBD 1, PSA 52.65, QED 0.88
Compound (SMILES): CN1C(=O)N(CC2CCC2)CC1C(=O)NCc1ccc(Cl)cc1Cl
InChIKey: JLVXSPYZZXOVMU-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 370.28, ALogP 3.15, HBA 2, HBD 1, PSA 52.65, QED 0.87
Compound (SMILES): CC(C)N1CC(C(=O)NCc2ccc(Cl)cc2Cl)N(C)C1=O
InChIKey: DLDWTIOYZIIOFQ-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 344.24, ALogP 2.75, HBA 2, HBD 1, PSA 52.65, QED 0.91
Compound (SMILES): O=C(c1ccc(Cl)cc1Cl)N1CCn2c(-c3ccccc3)cnc2C1
InChIKey: FHZPCXAMKVFUTC-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 = 19.95 nM (pChEMBL 7.699999809265137)
Descriptors: MW 372.25, ALogP 4.51, HBA 3, HBD 0, PSA 38.13, QED 0.66
Compound (SMILES): CN1C(=O)N(C2CCCC2)CC1C(=O)NCc1ccc(Cl)cc1Cl
InChIKey: SGOFDXLWIOCVRG-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 370.28, ALogP 3.29, HBA 2, HBD 1, PSA 52.65, QED 0.88
Compound (SMILES): O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(Br)nnc2C1
InChIKey: XLPMMJUQVGYRHH-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 409.59, ALogP 3.37, HBA 4, HBD 0, PSA 51.02, QED 0.73
Compound (SMILES): Cc1ccc(N2CCCC2)cc1N1CCN(C(=O)c2cccc(C(F)(F)F)c2Cl)CC1=O
InChIKey: UESUROMVBLYVBU-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 465.9, ALogP 4.76, HBA 3, HBD 0, PSA 43.86, QED 0.66
Compound (SMILES): Cc1ccc(Br)cc1N1CCN(C(=O)c2cccc(C(F)(F)F)c2Cl)CC1=O
InChIKey: IGGSDKPYXQWLKV-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 475.69, ALogP 4.92, HBA 2, HBD 0, PSA 40.62, QED 0.62
Compound (SMILES): Cc1ccc(-c2ccc(C)c(N3CCN(C(=O)c4cccc(C(F)(F)F)c4Cl)CC3=O)c2)cn1
InChIKey: ZDLTWMHFGRWTSQ-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 487.91, ALogP 5.53, HBA 3, HBD 0, PSA 53.51, QED 0.49
Compound (SMILES): Cc1c(N2CCCC2)cccc1N1CCN(C(=O)c2cccc(C(F)(F)F)c2Cl)CC1=O
InChIKey: FKUJVDDPYKTGPP-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 465.9, ALogP 4.76, HBA 3, HBD 0, PSA 43.86, QED 0.66
Compound (SMILES): O=C(c1cccc(Cl)c1Cl)N1CCN(c2cc(N3CCOCC3)ccc2Cl)C(=O)C1
InChIKey: LQVVLLZNCQMYKF-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 468.77, ALogP 3.97, HBA 4, HBD 0, PSA 53.09, QED 0.68
Compound (SMILES): O=C(c1c(Cl)cc(Cl)cc1Cl)N1CCN(c2cc(N3CCOCC3)ccc2Cl)C(=O)C1
InChIKey: MBUFYWMGMJRSOC-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 503.21, ALogP 4.63, HBA 4, HBD 0, PSA 53.09, QED 0.61
Compound (SMILES): O=C(c1cccc(C(F)(F)F)c1Cl)N1CCN(c2cc(N3CCOCC3)ccc2Cl)C(=O)C1
InChIKey: JNVRXGQPVDXAMU-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 502.32, ALogP 4.34, HBA 4, HBD 0, PSA 53.09, QED 0.63
Compound (SMILES): O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2-c2ccccc2)C1
InChIKey: AVGFUUPGJLCPBB-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 406.8, ALogP 4.27, HBA 4, HBD 0, PSA 51.02, QED 0.64
Compound (SMILES): O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2N2CCCC2)C1
InChIKey: UGDCBXBJMXTCBN-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 399.8, ALogP 3.21, HBA 5, HBD 0, PSA 54.26, QED 0.78
Compound (SMILES): O=C(c1ccccc1Cl)N1CCn2c(-c3ccccc3)cnc2C1
InChIKey: TXNLOXAUUHMBDN-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 337.81, ALogP 3.86, HBA 3, HBD 0, PSA 38.13, QED 0.71
Compound (SMILES): O=C(c1cccc(Cl)c1Cl)N1CCn2c(-c3ccccc3)cnc2C1
InChIKey: JOMOZKWFRBREPO-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 372.25, ALogP 4.51, HBA 3, HBD 0, PSA 38.13, QED 0.66
Compound (SMILES): O=C(c1ccc(F)cc1Cl)N1CCn2c(-c3ccccc3)cnc2C1
InChIKey: NKQCTJZOIWWIBP-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 355.8, ALogP 4, HBA 3, HBD 0, PSA 38.13, QED 0.7
Compound (SMILES): O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2-c2ccc(F)cc2)C1
InChIKey: CGXSPIMMMGDAPS-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 = 3.981 nM (pChEMBL 8.399999618530273)
Descriptors: MW 424.79, ALogP 4.41, HBA 4, HBD 0, PSA 51.02, QED 0.57
Compound (SMILES): O=C(c1c(Cl)cc(Cl)cc1Cl)N1CCn2c(-c3ccccc3)cnc2C1
InChIKey: GRCXIRBEYYZZDI-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 406.7, ALogP 5.17, HBA 3, HBD 0, PSA 38.13, QED 0.59
Compound (SMILES): O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2N2CCOCC2)C1
InChIKey: GGTVCXZYJSLSKH-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 415.8, ALogP 2.44, HBA 6, HBD 0, PSA 63.49, QED 0.75
Compound (SMILES): CN(C)c1nnc2n1CCN(C(=O)c1cccc(C(F)(F)F)c1Cl)C2
InChIKey: QVGZBSUFDMGUMX-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 = 19.95 nM (pChEMBL 7.699999809265137)
Descriptors: MW 373.77, ALogP 2.67, HBA 5, HBD 0, PSA 54.26, QED 0.81
Compound (SMILES): O=C(c1cccc(C(F)(F)F)c1Cl)N1CCN(c2cccc(N3CCOCC3)c2Cl)C(=O)C1
InChIKey: OVCYELXZOXSSOJ-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 502.32, ALogP 4.34, HBA 4, HBD 0, PSA 53.09, QED 0.63
Compound (SMILES): O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(-c3ccc(F)cc3)cnc2C1
InChIKey: PIKQBNWRQNNLDN-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 423.8, ALogP 5.02, HBA 3, HBD 0, PSA 38.13, QED 0.54
Compound (SMILES): Cc1ccc(C)c(CNC(=O)Cc2c(C)nn(-c3ccccc3)c2C)c1
InChIKey: CYXQTFRDURUQEZ-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 347.46, ALogP 3.96, HBA 3, HBD 1, PSA 46.92, QED 0.76
Compound (SMILES): Cc1ccc(Cl)cc1CNC(=O)Cc1c(C)nn(-c2ccccc2)c1C
InChIKey: PRUYHBRSQMPGKB-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 367.88, ALogP 4.31, HBA 3, HBD 1, PSA 46.92, QED 0.73
Compound (SMILES): Cc1cccc(Cl)c1CNC(=O)Cc1c(C)nn(-c2ccccc2)c1C
InChIKey: DHPVDIICCPXXID-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 367.88, ALogP 4.31, HBA 3, HBD 1, PSA 46.92, QED 0.73
Compound (SMILES): Cc1nn(CCNCC(C)C)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIKey: GZZGISQWOBSYDT-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 394.92, ALogP 3.4, HBA 4, HBD 2, PSA 58.95, QED 0.64
Compound (SMILES): Cc1cccc(C)c1CNC(=O)Cc1c(C)nn(-c2ccccc2)c1C
InChIKey: XZJBRPCMOBIDMV-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 347.46, ALogP 3.96, HBA 3, HBD 1, PSA 46.92, QED 0.76
Compound (SMILES): Cc1ncccc1-n1nc(C)c(CC(=O)NCc2ccc(F)cc2Cl)c1C
InChIKey: ILPRLXBXZAEQKG-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 386.86, ALogP 3.84, HBA 4, HBD 1, PSA 59.81, QED 0.72
Compound (SMILES): Cc1cncc(-n2nc(C)c(CC(=O)NCc3ccc(F)cc3Cl)c2C)c1
InChIKey: OLIQWUWBYFKHHV-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): Cc1nn(CCNCCO)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIKey: ZQKMJKNFIFYWIM-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 382.87, ALogP 1.73, HBA 5, HBD 3, PSA 79.18, QED 0.58
Compound (SMILES): Cc1nn(CCN(C)CCO)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIKey: YWGGVPUSKOYJJM-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 396.89, ALogP 2.08, HBA 5, HBD 2, PSA 70.39, QED 0.68
Compound (SMILES): COCCNCCn1nc(C)c(CC(=O)NCc2ccc(F)cc2Cl)c1C
InChIKey: UITZMONCZXZLJL-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 396.89, ALogP 2.39, HBA 5, HBD 2, PSA 68.18, QED 0.6
Compound (SMILES): Cc1nn(CCO)c(C)c1CC(=O)NCc1cccc(Cl)c1C
InChIKey: KLUZLQVXTPSRBL-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 335.84, ALogP 2.31, HBA 4, HBD 2, PSA 67.15, QED 0.85
Compound (SMILES): Cc1nn(CCN)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIKey: AAGWRBSJRXEYRE-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 338.81, ALogP 2.11, HBA 4, HBD 2, PSA 72.94, QED 0.85
Compound (SMILES): COCCn1nc(C)c(CC(=O)NCc2ccc(F)cc2Cl)c1C
InChIKey: MXSGHEIHQMGTMH-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 353.83, ALogP 2.8, HBA 4, HBD 1, PSA 56.15, QED 0.83
Compound (SMILES): Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1cc(Cl)ccc1F
InChIKey: OUPSFIQLPJSHFE-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 371.84, ALogP 4.14, HBA 3, HBD 1, PSA 46.92, QED 0.73
Compound (SMILES): Cc1nn(CCN2CCOCC2)c(C)c1CC(=O)NCc1cccc(Cl)c1C
InChIKey: LRFCYZXMCUHMHT-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 404.94, ALogP 2.65, HBA 5, HBD 1, PSA 59.39, QED 0.77
Compound (SMILES): Cc1nn(CC(C)(C)O)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIKey: YPWWRTLSXYZYHB-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 367.85, ALogP 2.92, HBA 4, HBD 2, PSA 67.15, QED 0.82
Compound (SMILES): Cc1nn(CC(C)(C)O)c(C)c1CC(=O)NCc1ccc(F)c(F)c1F
InChIKey: ISVVCIBQUWCTCD-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 369.39, ALogP 2.55, HBA 4, HBD 2, PSA 67.15, QED 0.77
Compound (SMILES): Cc1nn(CC(C)(C)O)c(C)c1CC(=O)NCc1cccc(Cl)c1C
InChIKey: WXHNJEPKLSQAIN-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 363.89, ALogP 3.09, HBA 4, HBD 2, PSA 67.15, QED 0.83
Compound (SMILES): Cc1cccc(Cl)c1CNC(=O)Cc1c(C)nn(CC(C)(C)O)c1C
InChIKey: JMZRNYHZGLFWCL-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 363.89, ALogP 3.09, HBA 4, HBD 2, PSA 67.15, QED 0.83
Compound (SMILES): CCOc1cccc(-n2cc(CC(=O)NCc3ccc(F)cc3Cl)cn2)n1
InChIKey: AKTHMRHVFPBCLB-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 = 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 388.83, ALogP 3.32, HBA 5, HBD 1, PSA 69.04, QED 0.67
Compound (SMILES): Cc1nn(-c2ncccn2)c(C)c1CC(=O)NCc1ccc(F)c(F)c1F
InChIKey: NQDWFEXHXNDFQQ-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 375.35, ALogP 2.56, HBA 5, HBD 1, PSA 72.7, QED 0.7
Compound (SMILES): O=C(Cc1cnn(CCO)c1C(F)(F)F)NCc1ccc(F)cc1Cl
InChIKey: IWIZKTFPLXDPNZ-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 379.74, ALogP 2.55, HBA 4, HBD 2, PSA 67.15, QED 0.76
Compound (SMILES): O=C(Cc1cn(CCO)nc1C(F)(F)F)NCc1ccc(F)cc1Cl
InChIKey: JLLNDLBQTVZARY-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 379.74, ALogP 2.55, HBA 4, HBD 2, PSA 67.15, QED 0.76
Compound (SMILES): O=C(Cc1cn(CCNCCO)nc1C(F)(F)F)NCc1ccc(F)cc1Cl
InChIKey: JULQOZJSSUSCBW-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 422.81, ALogP 2.14, HBA 5, HBD 3, PSA 79.18, QED 0.43
Compound (SMILES): O=C(Cc1cn(CCNC2CCOCC2)nc1C(F)(F)F)NCc1ccc(F)cc1Cl
InChIKey: VKGDUSDQDJOTIB-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 462.88, ALogP 3.32, HBA 5, HBD 2, PSA 68.18, QED 0.59
Compound (SMILES): O=C(Cc1cnn(-c2ccc(F)cc2)c1Br)NCc1ccc(F)cc1Cl
InChIKey: XNAMADPTGGDFFG-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 440.68, ALogP 4.43, HBA 3, HBD 1, PSA 46.92, QED 0.64
Compound (SMILES): COc1ccc(-n2nc(C)c(CC(=O)NCc3ccc(F)cc3Cl)c2C)cn1
InChIKey: IGMXBSUCGLWKEV-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 402.86, ALogP 3.54, HBA 5, HBD 1, PSA 69.04, QED 0.68
Compound (SMILES): COc1cncc(-n2nc(C)c(CC(=O)NCc3ccc(F)cc3Cl)c2C)c1
InChIKey: FSCWFERLHQSZGN-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 402.86, ALogP 3.54, HBA 5, HBD 1, PSA 69.04, QED 0.68
Compound (SMILES): COc1ncccc1-n1nc(C)c(CC(=O)NCc2ccc(F)cc2Cl)c1C
InChIKey: KDRSZLIDZPCWQR-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 402.86, ALogP 3.54, HBA 5, HBD 1, PSA 69.04, QED 0.68
Compound (SMILES): CN(C)CCn1ncc(CC(=O)NCc2ccc(F)cc2Cl)c1C(F)(F)F
InChIKey: RSSWJWALXXSCAR-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 = 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 406.81, ALogP 3.11, HBA 4, HBD 1, PSA 50.16, QED 0.72
Compound (SMILES): O=C(Cc1cnn(CCNC2CCOCC2)c1C(F)(F)F)NCc1ccc(F)cc1Cl
InChIKey: LCNIAQMEDYHATL-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 = 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 462.88, ALogP 3.32, HBA 5, HBD 2, PSA 68.18, QED 0.59
Compound (SMILES): O=C(Cc1cnn(CCN2CCCCC2)c1C(F)(F)F)NCc1ccc(F)cc1Cl
InChIKey: RKERPNWAGMSJCQ-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 446.88, ALogP 4.04, HBA 4, HBD 1, PSA 50.16, QED 0.65
Compound (SMILES): COCCNCCn1ncc(CC(=O)NCc2ccc(F)cc2Cl)c1C(F)(F)F
InChIKey: DRMJLDRMOJGNSI-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 436.84, ALogP 2.79, HBA 5, HBD 2, PSA 68.18, QED 0.44
Compound (SMILES): CCN1C(=O)CC[C@H]1C(=O)NCc1ccc(F)c(F)c1F
InChIKey: WRXGNBXFVCLFQR-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 = 158.49 nM (pChEMBL 6.800000190734863)
Descriptors: MW 300.28, ALogP 1.73, HBA 2, HBD 1, PSA 49.41, QED 0.86
Compound (SMILES): O=C(c1ccc(F)cc1Cl)N1CCN(c2ccccc2Cl)C(=O)C1
InChIKey: NYFAJAOFDXVPOW-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 367.21, ALogP 3.62, HBA 2, HBD 0, PSA 40.62, QED 0.81
Compound (SMILES): O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccccc2Cl)C(=O)C1
InChIKey: QDKOPEUBEPVDSQ-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 383.66, ALogP 4.14, HBA 2, HBD 0, PSA 40.62, QED 0.78
Compound (SMILES): O=C(c1cccc(Cl)c1Cl)N1CCN(c2ccc(F)cc2Cl)C(=O)C1
InChIKey: FFTKKQMZNGKNPJ-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 401.65, ALogP 4.27, HBA 2, HBD 0, PSA 40.62, QED 0.75
Compound (SMILES): O=C(c1cccc(C(F)(F)F)c1Cl)N1CCN(c2ccccc2Cl)C(=O)C1
InChIKey: KENCGSQIQBHEEF-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 417.21, ALogP 4.5, HBA 2, HBD 0, PSA 40.62, QED 0.72
Compound (SMILES): Cc1ncccc1N1C[C@@H](C(=O)NCc2ccc(F)c(F)c2Cl)N(C)C1=O
InChIKey: WNQZMWIHYRPXRG-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 = 31.62 nM (pChEMBL 7.5)
Descriptors: MW 394.81, ALogP 2.88, HBA 3, HBD 1, PSA 65.54, QED 0.81
Compound (SMILES): Cc1ncccc1N1C[C@@H](C(=O)NCc2cccc(Cl)c2Cl)N(C)C1=O
InChIKey: WHGHIRLJOJNOAN-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 = 39.81 nM (pChEMBL 7.400000095367432)
Descriptors: MW 393.27, ALogP 3.25, HBA 3, HBD 1, PSA 65.54, QED 0.87
Compound (SMILES): COc1c(Cl)cccc1N1CCN(Cc2ccc(F)cc2Cl)C(=O)C1=O
InChIKey: WKWZZJXRNQUGFL-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 397.23, ALogP 3.52, HBA 3, HBD 0, PSA 49.85, QED 0.74
Compound (SMILES): O=C1C(=O)N(c2cccc3[nH]ccc23)CCN1Cc1ccc(F)cc1Cl
InChIKey: DOBIHUXFEGVSKO-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 371.8, ALogP 3.34, HBA 2, HBD 1, PSA 56.41, QED 0.72
Compound (SMILES): O=C(c1cccc(C(F)(F)F)c1Cl)N1CCN(c2ccc(F)cc2Cl)C(=O)C1
InChIKey: IPNKMDOSYGIXDB-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 435.2, ALogP 4.64, HBA 2, HBD 0, PSA 40.62, QED 0.65
Compound (SMILES): Cc1cc(N2C[C@@H](C(=O)NCc3ccc(F)c(F)c3Cl)N(C)C2=O)ccn1
InChIKey: NYWBOLVASYZOSM-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 = 31.62 nM (pChEMBL 7.5)
Descriptors: MW 394.81, ALogP 2.88, HBA 3, HBD 1, PSA 65.54, QED 0.81
Compound (SMILES): Cc1nc[nH]c1CN1C[C@@H](C(=O)NCc2ccc(F)c(F)c2Cl)N(C)C1=O
InChIKey: LCSNABUAKBRVQK-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 397.81, ALogP 2.2, HBA 3, HBD 2, PSA 81.33, QED 0.76
Compound (SMILES): O=C(c1cccc(C(F)(F)F)c1Cl)N1CCN(c2ccc(F)cc2)C(=O)C1
InChIKey: BDJRDBWWNDQMOS-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 400.76, ALogP 3.99, HBA 2, HBD 0, PSA 40.62, QED 0.72
Compound (SMILES): CN1CCN(C(=O)c2cccc(Cl)c2Cl)CC1=O
InChIKey: LDYWKLHMKJMUHZ-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 287.15, ALogP 1.91, HBA 2, HBD 0, PSA 40.62, QED 0.79
Compound (SMILES): O=C1C(=O)N(c2cc(Cl)ccc2N2CCOCC2)CCN1Cc1ccc(F)cc1Cl
InChIKey: BVIWNFIJLQZHDA-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 452.31, ALogP 3.34, HBA 4, HBD 0, PSA 53.09, QED 0.67
Compound (SMILES): COc1c(Br)cccc1N1CCN(Cc2ccc(F)cc2Cl)C(=O)C1=O
InChIKey: XXQDZBMPNLJXRN-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 441.68, ALogP 3.63, HBA 3, HBD 0, PSA 49.85, QED 0.68
Compound (SMILES): CCc1ccccc1N1CCN(Cc2ccc(F)cc2Cl)C(=O)C1=O
InChIKey: PEHKEWNEXIDIDA-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 360.82, ALogP 3.42, HBA 2, HBD 0, PSA 40.62, QED 0.78
Compound (SMILES): CCN1CCN(C(=O)c2cccc(Cl)c2Cl)CC1=O
InChIKey: VDNKSPRBWFGCOZ-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 301.17, ALogP 2.3, HBA 2, HBD 0, PSA 40.62, QED 0.84
Compound (SMILES): O=C1CN(C(=O)c2cccc(Cl)c2Cl)CCN1Cc1ccc(F)cc1Cl
InChIKey: ZITTYGKZWQLLEF-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 415.68, ALogP 4.27, HBA 2, HBD 0, PSA 40.62, QED 0.75
Compound (SMILES): CN1C(=O)N(CCN2CCOCC2)C[C@H]1C(=O)NCc1ccc(F)c(F)c1Cl
InChIKey: UAACXBCDFIRZCR-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 = 63.1 nM (pChEMBL 7.199999809265137)
Descriptors: MW 416.86, ALogP 1.3, HBA 4, HBD 1, PSA 65.12, QED 0.71
Compound (SMILES): CC(C)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1=O
InChIKey: LBOCNLOHNJIEBD-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 315.2, ALogP 2.69, HBA 2, HBD 0, PSA 40.62, QED 0.84
Compound (SMILES): CC(C)c1ccccc1N1CCN(Cc2ccc(F)cc2Cl)C(=O)C1=O
InChIKey: AEOCBJXABOEXBN-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 374.84, ALogP 3.98, HBA 2, HBD 0, PSA 40.62, QED 0.76
Compound (SMILES): O=C1C(=O)N(c2cc(F)ccc2N2CCOCC2)CCN1Cc1ccc(F)cc1Cl
InChIKey: OWSMHHVUUSRXNV-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 435.86, ALogP 2.83, HBA 4, HBD 0, PSA 53.09, QED 0.69
Compound (SMILES): O=C1C(=O)N(c2cc(Br)ccc2Cl)CCN1Cc1ccc(F)cc1Cl
InChIKey: QEOADSOJLGOBBJ-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 446.1, ALogP 4.27, HBA 2, HBD 0, PSA 40.62, QED 0.66
Compound (SMILES): O=C1C(=O)N(c2cccc3c2OCCO3)CCN1Cc1ccc(F)cc1Cl
InChIKey: TUPMFEOEJMBEJW-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 390.8, ALogP 2.63, HBA 4, HBD 0, PSA 59.08, QED 0.76