lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): COc1cccc(OC)c1N1CCN(Cc2ccc(F)cc2Cl)C(=O)C1=O
InChIKey: PGURPZZTELMBEX-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 392.81, ALogP 2.87, HBA 4, HBD 0, PSA 59.08, QED 0.73
Compound (SMILES): O=C(c1ccc(Cl)cc1F)N1CCN(c2ccc(F)cc2Cl)C(=O)C1
InChIKey: XYLBBBVHECRWQK-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 385.2, ALogP 3.76, HBA 2, HBD 0, PSA 40.62, QED 0.79
Compound (SMILES): O=C(c1c(Cl)cccc1Cl)N1CCN(c2ccc(F)cc2Cl)C(=O)C1
InChIKey: BPFDBNIFDQBRTL-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 401.65, ALogP 4.27, HBA 2, HBD 0, PSA 40.62, QED 0.75
Compound (SMILES): CC(C)Oc1cc(F)ccc1N1CCN(C(=O)c2cccc(C(F)(F)F)c2Cl)CC1=O
InChIKey: RXNKHFMVFKNIIL-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 458.84, ALogP 4.77, HBA 3, HBD 0, PSA 49.85, QED 0.62
Compound (SMILES): CC(C)Oc1cc(F)ccc1N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1=O
InChIKey: TZZVXRYXDVSNOK-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 425.29, ALogP 4.41, HBA 3, HBD 0, PSA 49.85, QED 0.73
Compound (SMILES): CN1C(=O)N(c2cn(C)cn2)C[C@H]1C(=O)NCc1ccc(Cl)cc1Cl
InChIKey: BYJCRSBLSIRRCD-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 = 7.943 nM (pChEMBL 8.100000381469727)
Descriptors: MW 382.25, ALogP 2.28, HBA 4, HBD 1, PSA 70.47, QED 0.88
Compound (SMILES): C[C@@H]1CN(Cc2ccc(Cl)cc2Cl)C(=O)C(=O)N1c1ccccc1
InChIKey: ZVCZABPNHDBZBT-GFCCVEGCSA-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 363.24, ALogP 3.76, HBA 2, HBD 0, PSA 40.62, QED 0.78
Compound (SMILES): CC(C)(C)c1nnc2n1CCN(C(=O)c1cccc(C(F)(F)F)c1Cl)C2
InChIKey: YXAJZGGSXUZXGE-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 386.81, ALogP 3.9, HBA 4, HBD 0, PSA 51.02, QED 0.75
Compound (SMILES): O=C(c1ccc(F)cc1Cl)N1CCn2c(nnc2-c2ccccc2)C1
InChIKey: PAMUPXWEUDHSOI-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 356.79, ALogP 3.39, HBA 4, HBD 0, PSA 51.02, QED 0.71
Compound (SMILES): O=C(c1cccc(Cl)c1Cl)N1CCn2c(nnc2-c2cnccn2)C1
InChIKey: AXQZZNUTSSFRSV-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 = 1.585 nM (pChEMBL 8.800000190734863)
Descriptors: MW 375.22, ALogP 2.7, HBA 6, HBD 0, PSA 76.8, QED 0.69
Compound (SMILES): Cn1ccc(-c2nnc3n2CCN(C(=O)c2cccc(C(F)(F)F)c2Cl)C3)n1
InChIKey: BFSHGXDGHRLHHV-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 410.79, ALogP 3.01, HBA 6, HBD 0, PSA 68.84, QED 0.65
Compound (SMILES): Cn1cccc1-c1nnc2n1CCN(C(=O)c1cccc(C(F)(F)F)c1Cl)C2
InChIKey: OLPLZSAMNNYSIE-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 409.8, ALogP 3.61, HBA 5, HBD 0, PSA 55.95, QED 0.65
Compound (SMILES): Cc1cc(-c2nnc3n2CCN(C(=O)c2cccc(C(F)(F)F)c2Cl)C3)no1
InChIKey: MYMSDWRFXLVWPY-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 411.77, ALogP 3.57, HBA 6, HBD 0, PSA 77.05, QED 0.64
Compound (SMILES): O=C(c1ccc(F)cc1Cl)N1CCn2c(nnc2-c2cnccn2)C1
InChIKey: RKEXVRGHOMJTPO-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 358.76, ALogP 2.18, HBA 6, HBD 0, PSA 76.8, QED 0.7
Compound (SMILES): O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2-c2ccc[nH]2)C1
InChIKey: IECXTJJMOJIIRI-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 = 1.585 nM (pChEMBL 8.800000190734863)
Descriptors: MW 395.77, ALogP 3.6, HBA 4, HBD 1, PSA 66.81, QED 0.72
Compound (SMILES): O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2-c2cscn2)C1
InChIKey: BDKXTJZVSCTDFF-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 = 1.585 nM (pChEMBL 8.800000190734863)
Descriptors: MW 413.81, ALogP 3.73, HBA 6, HBD 0, PSA 63.91, QED 0.64
Compound (SMILES): O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2-c2cccnn2)C1
InChIKey: SBINPODSPZPIQC-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 408.77, ALogP 3.06, HBA 6, HBD 0, PSA 76.8, QED 0.65
Compound (SMILES): O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2-c2ccc(F)cn2)C1
InChIKey: FPAIHYIDWQVHOX-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 = 2.512 nM (pChEMBL 8.600000381469727)
Descriptors: MW 425.77, ALogP 3.81, HBA 5, HBD 0, PSA 63.91, QED 0.59
Compound (SMILES): O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2-c2cnccn2)C1
InChIKey: OWLJSSXNGFMYKM-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 = 1.995 nM (pChEMBL 8.699999809265137)
Descriptors: MW 408.77, ALogP 3.06, HBA 6, HBD 0, PSA 76.8, QED 0.65
Compound (SMILES): Cn1cccc1-c1nnc2n1CCN(C(=O)c1cccc(Cl)c1Cl)C2
InChIKey: LQVTUNHSFVHXPW-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 376.25, ALogP 3.25, HBA 5, HBD 0, PSA 55.95, QED 0.69
Compound (SMILES): Cc1cc(-c2nnc3n2CCN(C(=O)c2cccc(Cl)c2Cl)C3)no1
InChIKey: LOTRNBAVJZGHGU-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 378.22, ALogP 3.2, HBA 6, HBD 0, PSA 77.05, QED 0.68
Compound (SMILES): O=C(c1cccc(Cl)c1Cl)N1CCn2c(nnc2-c2cccnn2)C1
InChIKey: LAFQWLZNMMYFGF-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 375.22, ALogP 2.7, HBA 6, HBD 0, PSA 76.8, QED 0.69
Compound (SMILES): O=C(c1ccc(F)cc1Cl)N1CCn2c(nnc2-c2cccnn2)C1
InChIKey: SKDXWFWUFYBIRO-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 358.76, ALogP 2.18, HBA 6, HBD 0, PSA 76.8, QED 0.7
Compound (SMILES): Cn1ccc(-c2nnc3n2CCN(C(=O)c2cccc(Cl)c2Cl)C3)n1
InChIKey: AHGJHLDDGBIVIE-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 377.24, ALogP 2.64, HBA 6, HBD 0, PSA 68.84, QED 0.69
Compound (SMILES): O=C(c1cccc(Cl)c1Cl)N1CCn2c(nnc2-c2ccc[nH]2)C1
InChIKey: XJZPTHODBGOSSZ-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 = 2.512 nM (pChEMBL 8.600000381469727)
Descriptors: MW 362.22, ALogP 3.24, HBA 4, HBD 1, PSA 66.81, QED 0.76
Compound (SMILES): O=C(c1cccc(Cl)c1Cl)N1CCn2c(nnc2-c2cscn2)C1
InChIKey: XDVOAXOJEKZACL-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 = 1 nM (pChEMBL 9)
Descriptors: MW 380.26, ALogP 3.36, HBA 6, HBD 0, PSA 63.91, QED 0.68
Compound (SMILES): Cn1nccc1-c1nnc2n1CCN(C(=O)c1cccc(C(F)(F)F)c1Cl)C2
InChIKey: BXXQOQMGDBYCEK-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 410.79, ALogP 3.01, HBA 6, HBD 0, PSA 68.84, QED 0.65
Compound (SMILES): O=C(c1ccc(F)cc1Cl)N1CCn2c(Br)nnc2C1
InChIKey: NEPUSHSNQHMCJY-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 359.59, ALogP 2.49, HBA 4, HBD 0, PSA 51.02, QED 0.79
Compound (SMILES): O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2-c2ccco2)C1
InChIKey: YFHVXQTXTFCIQO-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 = 1.585 nM (pChEMBL 8.800000190734863)
Descriptors: MW 396.76, ALogP 3.87, HBA 5, HBD 0, PSA 64.16, QED 0.66
Compound (SMILES): Cn1nccc1-c1nnc2n1CCN(C(=O)c1cccc(Cl)c1Cl)C2
InChIKey: KRKJTKLQKBOCPC-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 377.24, ALogP 2.64, HBA 6, HBD 0, PSA 68.84, QED 0.69
Compound (SMILES): O=C(c1ccc(F)cc1Cl)N1CCn2c(Br)cnc2C1
InChIKey: IUADCVUMPFPNHV-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 358.6, ALogP 3.09, HBA 3, HBD 0, PSA 38.13, QED 0.79
Compound (SMILES): O=C(c1cccc(C(F)(F)F)c1F)N1CCn2c(nnc2-c2ccccn2)C1
InChIKey: DKUSTRSIRZFNBZ-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 391.33, ALogP 3.15, HBA 5, HBD 0, PSA 63.91, QED 0.63
Compound (SMILES): O=C(c1ccc(Cl)cc1Cl)N1CCn2c(nnc2-c2cnccn2)C1
InChIKey: ZOBLHYIDECUIHB-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 375.22, ALogP 2.7, HBA 6, HBD 0, PSA 76.8, QED 0.69
Compound (SMILES): O=C(c1ccc(F)cc1C(F)(F)F)N1CCn2c(nnc2-c2ccccn2)C1
InChIKey: IIPQGWGFZGRIEP-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 391.33, ALogP 3.15, HBA 5, HBD 0, PSA 63.91, QED 0.63
Compound (SMILES): O=C(c1ccc(Cl)cc1Cl)N1CCn2c(nnc2-c2ccc(F)cn2)C1
InChIKey: QABRBPKKQRUTFF-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 392.22, ALogP 3.44, HBA 5, HBD 0, PSA 63.91, QED 0.67
Compound (SMILES): O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(-c3ccc(F)cn3)cnc2C1
InChIKey: VVOXZDJGHIIZQY-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(c1ccc(Cl)cc1Cl)N1CCn2c(nnc2-c2cscn2)C1
InChIKey: IMHJGAYDAURTJG-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 = 1.995 nM (pChEMBL 8.699999809265137)
Descriptors: MW 380.26, ALogP 3.36, HBA 6, HBD 0, PSA 63.91, QED 0.68
Compound (SMILES): O=C(c1ccc(F)c(F)c1Cl)N1CCN(c2ccc(F)cc2Cl)C(=O)C1
InChIKey: MVEJARAPHRQKQA-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 403.19, ALogP 3.9, HBA 2, HBD 0, PSA 40.62, QED 0.71
Compound (SMILES): O=C(c1cccc(F)c1F)N1CCN(c2ccc(F)cc2Cl)C(=O)C1
InChIKey: ICYQAWJIUYOVPA-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 368.74, ALogP 3.25, HBA 2, HBD 0, PSA 40.62, QED 0.82
Compound (SMILES): O=C(c1c(F)ccc(F)c1Cl)N1CCN(c2ccc(F)cc2Cl)C(=O)C1
InChIKey: SBFCDBULVXOSTG-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 403.19, ALogP 3.9, HBA 2, HBD 0, PSA 40.62, QED 0.71
Compound (SMILES): O=C(c1cccc(Cl)c1F)N1CCN(c2ccc(F)cc2Cl)C(=O)C1
InChIKey: VCJKZVORHZXBEN-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 385.2, ALogP 3.76, HBA 2, HBD 0, PSA 40.62, QED 0.79
Compound (SMILES): O=C(c1ccc(F)c(Cl)c1F)N1CCN(c2ccc(F)cc2Cl)C(=O)C1
InChIKey: CNEISVGACLIAJX-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 403.19, ALogP 3.9, HBA 2, HBD 0, PSA 40.62, QED 0.71
Compound (SMILES): CN1CCN(C(=O)c2cccc(C(F)(F)F)c2Cl)CC1=O
InChIKey: IWMNVDXGKASRMI-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 320.7, ALogP 2.27, HBA 2, HBD 0, PSA 40.62, QED 0.8
Compound (SMILES): CN1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1=O
InChIKey: KQPRRKYUXTXEBC-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 287.15, ALogP 1.91, HBA 2, HBD 0, PSA 40.62, QED 0.79
Compound (SMILES): CN1C(=O)N(c2cncn2C)C[C@H]1C(=O)NCc1ccc(Cl)cc1Cl
InChIKey: DPIUZNNLHTZNPD-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(c2cncn2C)C[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIKey: IDPBGPRISDMTAF-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 = 5.012 nM (pChEMBL 8.300000190734863)
Descriptors: MW 415.8, ALogP 2.65, HBA 4, HBD 1, PSA 70.47, QED 0.83
Compound (SMILES): CN1CCN(C(=O)c2ccc(F)cc2Cl)CC1=O
InChIKey: JHRRFWONVSWQOK-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 270.69, ALogP 1.39, HBA 2, HBD 0, PSA 40.62, QED 0.77
Compound (SMILES): N#Cc1cc(F)ccc1N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1=O
InChIKey: LSXRNHJFFQIOPD-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 392.22, ALogP 3.49, HBA 3, HBD 0, PSA 64.41, QED 0.79
Compound (SMILES): CN1C(=O)N(c2cc(C(F)(F)F)ncn2)C[C@H]1C(=O)NCc1ccc(F)c(F)c1Cl
InChIKey: NKOVRTRXVRFXIM-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 = 50.12 nM (pChEMBL 7.300000190734863)
Descriptors: MW 449.77, ALogP 2.98, HBA 4, HBD 1, PSA 78.43, QED 0.57
Compound (SMILES): CN1C(=O)N(c2cc(C(F)(F)F)ncn2)C[C@H]1C(=O)NCc1ccc(Cl)cc1Cl
InChIKey: SNZAQTTZNWBYGX-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 = 31.62 nM (pChEMBL 7.5)
Descriptors: MW 448.23, ALogP 3.36, HBA 4, HBD 1, PSA 78.43, QED 0.78
Compound (SMILES): CN1C(=O)N(c2cc(C(F)(F)F)ncn2)C[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIKey: WYVRFVGPSAMLOF-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 481.78, ALogP 3.72, HBA 4, HBD 1, PSA 78.43, QED 0.68
Compound (SMILES): CC(C)CN1CCN(C(=O)c2cccc(Cl)c2Cl)CC1=O
InChIKey: SEZNPTPNLIFKCH-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 329.23, ALogP 2.93, HBA 2, HBD 0, PSA 40.62, QED 0.86
Compound (SMILES): O=C(c1ccc(F)cc1Cl)N1CCN(c2ccc(F)cc2Cl)C(=O)C1
InChIKey: RIARAEYTAOLAKD-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 385.2, ALogP 3.76, HBA 2, HBD 0, PSA 40.62, QED 0.79
Compound (SMILES): Cc1cccc(C(=O)N2CCN(C)C(=O)C2)c1Cl
InChIKey: UVKVGGVEBBUADQ-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 266.73, ALogP 1.56, HBA 2, HBD 0, PSA 40.62, QED 0.77
Compound (SMILES): CCN1CCN(C(=O)c2cccc(C(F)(F)F)c2Cl)CC1=O
InChIKey: HBLQTKAYKNBLHV-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 334.73, ALogP 2.66, HBA 2, HBD 0, PSA 40.62, QED 0.83
Compound (SMILES): O=C1CN(C(=O)c2cccc(C(F)(F)F)c2Cl)CCN1CC(F)(F)F
InChIKey: LXRKFWNBLVGWJV-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 388.7, ALogP 3.21, HBA 2, HBD 0, PSA 40.62, QED 0.73
Compound (SMILES): CC(C)N1CCN(C(=O)c2cccc(C(F)(F)F)c2Cl)CC1=O
InChIKey: VBGOJAAYIWEBNK-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 348.75, ALogP 3.05, HBA 2, HBD 0, PSA 40.62, QED 0.82
Compound (SMILES): COCCN1CCN(C(=O)c2cccc(C(F)(F)F)c2Cl)CC1=O
InChIKey: ZBCZFSVWOARNIF-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 364.75, ALogP 2.29, HBA 3, HBD 0, PSA 49.85, QED 0.82
Compound (SMILES): COc1ccc(I)cc1N1CCN(C(=O)c2cccc(C(F)(F)F)c2Cl)CC1=O
InChIKey: YFFFKMNIXCTNOP-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 538.69, ALogP 4.46, HBA 3, HBD 0, PSA 49.85, QED 0.54
Compound (SMILES): CC(C)CN1CCN(C(=O)c2cccc(C(F)(F)F)c2Cl)CC1=O
InChIKey: IHTJFPCDFANILV-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 362.78, ALogP 3.3, HBA 2, HBD 0, PSA 40.62, QED 0.83
Compound (SMILES): CN1C(=O)N(c2ccc(F)nc2)C[C@H]1C(=O)NCc1ccc(Cl)cc1Cl
InChIKey: HQNPEHOUPFEBOK-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 = 19.95 nM (pChEMBL 7.699999809265137)
Descriptors: MW 397.24, ALogP 3.08, HBA 3, HBD 1, PSA 65.54, QED 0.81
Compound (SMILES): CN1C(=O)N(c2ccc(F)nc2)C[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIKey: VLHIAJGMGWGNEH-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 = 7.943 nM (pChEMBL 8.100000381469727)
Descriptors: MW 430.79, ALogP 3.45, HBA 3, HBD 1, PSA 65.54, QED 0.6
Compound (SMILES): Cc1c(Br)cccc1N1CCN(C(=O)c2cccc(C(F)(F)F)c2Cl)CC1=O
InChIKey: BCMPDRJPOMNHAH-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 475.69, ALogP 4.92, HBA 2, HBD 0, PSA 40.62, QED 0.62
Compound (SMILES): O=C1CN(C(=O)c2cccc(C(F)(F)F)c2Cl)CCN1CC1CCCCC1
InChIKey: ZCAGXQYONNDGMX-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 402.84, ALogP 4.22, HBA 2, HBD 0, PSA 40.62, QED 0.76
Compound (SMILES): CCC(CC)N1CCN(C(=O)c2cccc(C(F)(F)F)c2Cl)CC1=O
InChIKey: BXTVSNYWJZVQAW-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 376.81, ALogP 3.83, HBA 2, HBD 0, PSA 40.62, QED 0.8
Compound (SMILES): O=C1CN(C(=O)c2cccc(C(F)(F)F)c2Cl)CCN1CC1CC1
InChIKey: VKERDTZIJNXHEW-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 360.76, ALogP 3.05, HBA 2, HBD 0, PSA 40.62, QED 0.83
Compound (SMILES): CCCN1CCN(C(=O)c2cccc(C(F)(F)F)c2Cl)CC1=O
InChIKey: DOHDZUHBHZBPRV-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 348.75, ALogP 3.05, HBA 2, HBD 0, PSA 40.62, QED 0.84
Compound (SMILES): O=C1CN(C(=O)c2cccc(C(F)(F)F)c2Cl)CCN1Cc1ccncc1
InChIKey: KEEXXUCVOKJQRR-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 397.78, ALogP 3.24, HBA 3, HBD 0, PSA 53.51, QED 0.8
Compound (SMILES): CN1C[C@@H](C(=O)NCc2ccc(Cl)cc2Cl)N(CC(F)(F)F)C1=O
InChIKey: XYVMSTBBELKYSA-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 = 15.85 nM (pChEMBL 7.800000190734863)
Descriptors: MW 384.19, ALogP 2.91, HBA 2, HBD 1, PSA 52.65, QED 0.87
Compound (SMILES): CCN1C(=O)N(C)C[C@H]1C(=O)NCc1ccc(Cl)cc1Cl
InChIKey: PAMMWOFVRVCVAA-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 = 1.585 nM (pChEMBL 8.800000190734863)
Descriptors: MW 330.22, ALogP 2.37, HBA 2, HBD 1, PSA 52.65, QED 0.92
Compound (SMILES): CCN1C(=O)N(C)C[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIKey: XNYLTQNQSISMDG-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 363.77, ALogP 2.73, HBA 2, HBD 1, PSA 52.65, QED 0.89
Compound (SMILES): CCN1C(=O)N(C)C[C@H]1C(=O)NCc1ccc(F)cc1Cl
InChIKey: XOWLJNZDZMDUKT-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 = 7.943 nM (pChEMBL 8.100000381469727)
Descriptors: MW 313.76, ALogP 1.85, HBA 2, HBD 1, PSA 52.65, QED 0.92
Compound (SMILES): COc1ccc(N2C[C@@H](C(=O)NCc3ccc(Cl)cc3Cl)N(C)C2=O)cn1
InChIKey: MNYPABLLXFOJKV-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 409.27, ALogP 2.95, HBA 4, HBD 1, PSA 74.77, QED 0.82
Compound (SMILES): COc1ccc(N2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3Cl)N(C)C2=O)cn1
InChIKey: SSQUBKOCLMDUIO-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 442.83, ALogP 3.32, HBA 4, HBD 1, PSA 74.77, QED 0.77
Compound (SMILES): O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2ccnc2C1
InChIKey: ZGJBENYTYSHTKR-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 329.71, ALogP 3.21, HBA 3, HBD 0, PSA 38.13, QED 0.81
Compound (SMILES): N#Cc1cc(F)ccc1N1CCN(C(=O)c2cccc(C(F)(F)F)c2Cl)CC1=O
InChIKey: JMATUUQWTDEAAH-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 425.77, ALogP 3.86, HBA 3, HBD 0, PSA 64.41, QED 0.69
Compound (SMILES): O=C1CN(C(=O)c2cccc(C(F)(F)F)c2Cl)CCN1Cc1cccnc1
InChIKey: VFNFGBVXYFZQCM-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 397.78, ALogP 3.24, HBA 3, HBD 0, PSA 53.51, QED 0.8
Compound (SMILES): CN1C(=O)CCC1(C)C(=O)NCc1ccc(Cl)cc1Cl
InChIKey: QEELUSNJLBZXND-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 315.2, ALogP 2.62, HBA 2, HBD 1, PSA 49.41, QED 0.93
Compound (SMILES): CCN1C(=O)CC[C@@H]1C(=O)NCc1ccc(Cl)cc1Cl
InChIKey: YDHAWQZOQPWFKV-GFCCVEGCSA-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 315.2, ALogP 2.62, HBA 2, HBD 1, PSA 49.41, QED 0.93
Compound (SMILES): CCN1C(=O)CC[C@@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIKey: SPCMXXKHIAIYGH-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 = 10 nM (pChEMBL 8)
Descriptors: MW 348.75, ALogP 2.99, HBA 2, HBD 1, PSA 49.41, QED 0.91
Compound (SMILES): CCN1C(=O)CC[C@@H]1C(=O)NCc1ccc(Cl)c(C(F)(F)F)c1
InChIKey: HTGXTSGEIYVMJH-GFCCVEGCSA-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 348.75, ALogP 2.99, HBA 2, HBD 1, PSA 49.41, QED 0.91
Compound (SMILES): CCN1C(=O)CC[C@@H]1C(=O)NCc1c(C)cccc1Cl
InChIKey: BREZEOYXHXJAJA-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 = 501.19 nM (pChEMBL 6.300000190734863)
Descriptors: MW 294.78, ALogP 2.28, HBA 2, HBD 1, PSA 49.41, QED 0.93
Compound (SMILES): Cc1cc(Cl)ccc1CNC(=O)[C@@H]1CCC(=O)N1C
InChIKey: NAJKILQNOODTSP-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 = 25.12 nM (pChEMBL 7.599999904632568)
Descriptors: MW 280.76, ALogP 1.89, HBA 2, HBD 1, PSA 49.41, QED 0.92
Compound (SMILES): CN1C(=O)CC[C@H]1C(=O)NCc1ccc(F)cc1C(F)(F)F
InChIKey: JAVGMSFCSADOCJ-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 = 100 nM (pChEMBL 7)
Descriptors: MW 318.27, ALogP 2.08, HBA 2, HBD 1, PSA 49.41, QED 0.87
Compound (SMILES): CN1C(=O)CC[C@H]1C(=O)NCc1cccc(Cl)c1Cl
InChIKey: QLFJNEQLOWARSQ-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 301.17, ALogP 2.23, HBA 2, HBD 1, PSA 49.41, QED 0.93
Compound (SMILES): CN1C(=O)CC[C@H]1C(=O)NCc1c(Cl)cccc1Cl
InChIKey: PPYJPXQAZJWHOI-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 301.17, ALogP 2.23, HBA 2, HBD 1, PSA 49.41, QED 0.93
Compound (SMILES): Cc1c(Cl)cccc1CNC(=O)[C@@H]1CCC(=O)N1C
InChIKey: QUJLAJRHAKHLCR-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 280.76, ALogP 1.89, HBA 2, HBD 1, PSA 49.41, QED 0.92
Compound (SMILES): CN1C(=O)CC[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1F
InChIKey: FSTPGTUPFFEIFL-JTQLQIEISA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: Competitive displacement of [11C]GSK1482160 from human recombinant P2X7 receptor expressed in HEK293 cell membranes incubated for 30 mins by scintillation counting method based radioligand competitive binding assay
Measurement: Ki = 54.2 nM (pChEMBL 7.269999980926514)
Descriptors: MW 318.27, ALogP 2.08, HBA 2, HBD 1, PSA 49.41, QED 0.87
Compound (SMILES): CN1C(=O)CC[C@H]1C(=O)NCc1cccc(Cl)c1F
InChIKey: USUBWUWSOJEYDF-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 = 125.89 nM (pChEMBL 6.900000095367432)
Descriptors: MW 284.72, ALogP 1.72, HBA 2, HBD 1, PSA 49.41, QED 0.92
Compound (SMILES): CCN1C(=O)c2ccccc2C1C(=O)NCc1ccc(Cl)cc1Cl
InChIKey: QXKBILNFBVGWTN-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 363.24, ALogP 3.83, HBA 2, HBD 1, PSA 49.41, QED 0.9
Compound (SMILES): CCN1C(=O)c2ccccc2C1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIKey: JJCSPUCCIBHSMR-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 396.8, ALogP 4.19, HBA 2, HBD 1, PSA 49.41, QED 0.84
Compound (SMILES): CN1C(=O)c2ccccc2C1C(=O)NCc1ccc(Cl)cc1Cl
InChIKey: MSKKIEWTMHJXEM-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 349.22, ALogP 3.44, HBA 2, HBD 1, PSA 49.41, QED 0.92
Compound (SMILES): CN1C(=O)c2ccccc2C1C(=O)NCc1ccc(F)cc1Cl
InChIKey: XGOFOERLVIBFHL-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 332.76, ALogP 2.92, HBA 2, HBD 1, PSA 49.41, QED 0.94
Compound (SMILES): CN1C(=O)c2ccccc2C1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIKey: NXYNYKSKXRLAJT-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 382.77, ALogP 3.8, HBA 2, HBD 1, PSA 49.41, QED 0.88
Compound (SMILES): CCN1C(=O)CCC1(C)C(=O)NCc1ccc(Cl)cc1Cl
InChIKey: OZAICWXXMDNHML-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 329.23, ALogP 3.01, HBA 2, HBD 1, PSA 49.41, QED 0.92
Compound (SMILES): CC1(C(=O)NCc2ccc(Cl)cc2Cl)CCCC(=O)N1C1CCC1
InChIKey: NFSCENKKXFEYBV-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 369.29, ALogP 3.93, HBA 2, HBD 1, PSA 49.41, QED 0.87
Compound (SMILES): CC1(C(=O)NCc2ccc(Cl)cc2Cl)CCC(=O)N1C1CC1
InChIKey: NOAKJAVLZIVFEP-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 341.24, ALogP 3.15, HBA 2, HBD 1, PSA 49.41, QED 0.91
Compound (SMILES): O=C(NCc1ccc(Cl)cc1Cl)C1CCC(=O)N1C1CC1
InChIKey: JMADKOSMPDQENM-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 327.21, ALogP 2.76, HBA 2, HBD 1, PSA 49.41, QED 0.92
Compound (SMILES): CC(C)N1C(=O)CCC1(C)C(=O)NCc1ccc(Cl)cc1Cl
InChIKey: FLGXJSSGWNINOD-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 343.25, ALogP 3.4, HBA 2, HBD 1, PSA 49.41, QED 0.91
Compound (SMILES): CCN1C(=O)CC[C@@H]1C(=O)NCc1c(Cl)cccc1Cl
InChIKey: DADAFKYPCAFHGG-GFCCVEGCSA-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 315.2, ALogP 2.62, HBA 2, HBD 1, PSA 49.41, QED 0.93
Compound (SMILES): CCN1C(=O)CC[C@@H]1C(=O)NCc1cccc(C(F)(F)F)c1F
InChIKey: USBRKWNEPKAILX-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 = 158.49 nM (pChEMBL 6.800000190734863)
Descriptors: MW 332.3, ALogP 2.47, HBA 2, HBD 1, PSA 49.41, QED 0.86
Compound (SMILES): CCN1C(=O)CC[C@@H]1C(=O)NCc1ccc(F)cc1C(F)(F)F
InChIKey: IEUBTQYUYPHSIV-GFCCVEGCSA-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 332.3, ALogP 2.47, HBA 2, HBD 1, PSA 49.41, QED 0.86
Compound (SMILES): CCN1C(=O)CC[C@@H]1C(=O)NCc1cccc(Cl)c1F
InChIKey: MZOGOEBWSGJBQB-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 = 794.33 nM (pChEMBL 6.099999904632568)
Descriptors: MW 298.75, ALogP 2.11, HBA 2, HBD 1, PSA 49.41, QED 0.93
Compound (SMILES): CCN1C(=O)CC[C@@H]1C(=O)NCc1ccc(F)c(F)c1Cl
InChIKey: WUEFEDIBGNIFJK-SNVBAGLBSA-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 316.74, ALogP 2.25, HBA 2, HBD 1, PSA 49.41, QED 0.87
Compound (SMILES): CCN1C(=O)CC[C@@H]1C(=O)NCc1ccc(Cl)cc1C
InChIKey: ZOLYVZOMOOPULM-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 = 125.89 nM (pChEMBL 6.900000095367432)
Descriptors: MW 294.78, ALogP 2.28, HBA 2, HBD 1, PSA 49.41, QED 0.93
Compound (SMILES): CCN1C(=O)CC[C@@H]1C(=O)NCc1cccc(Cl)c1Cl
InChIKey: LOHMBEQRBFSYKI-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 = 79.43 nM (pChEMBL 7.099999904632568)
Descriptors: MW 315.2, ALogP 2.62, HBA 2, HBD 1, PSA 49.41, QED 0.93
Compound (SMILES): CN1C(=O)CC[C@@H]1C(=O)NCc1ccc(F)cc1C(F)(F)F
InChIKey: JAVGMSFCSADOCJ-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 = 251.19 nM (pChEMBL 6.599999904632568)
Descriptors: MW 318.27, ALogP 2.08, HBA 2, HBD 1, PSA 49.41, QED 0.87
Compound (SMILES): CN1C(=O)CC[C@@H]1C(=O)NCc1cccc(Cl)c1Cl
InChIKey: QLFJNEQLOWARSQ-SNVBAGLBSA-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 301.17, ALogP 2.23, HBA 2, HBD 1, PSA 49.41, QED 0.93
Compound (SMILES): O=C(NCc1ccc(F)cc1Cl)C1CCC(=O)N1C1CC1
InChIKey: JCSSPFNZJQLFQJ-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 310.76, ALogP 2.25, HBA 2, HBD 1, PSA 49.41, QED 0.93
Compound (SMILES): O=C(c1cccc(Cl)c1Cl)N1CCn2c(nnc2-c2ccc(F)cc2)C1
InChIKey: LOOUEKVMIGTYLG-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 391.23, ALogP 4.05, HBA 4, HBD 0, PSA 51.02, QED 0.66
Compound (SMILES): O=C(c1cccc(Cl)c1Cl)N1CCn2c(nnc2-c2ccc(F)cc2F)C1
InChIKey: DNCDCZIKKHTSLG-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 409.22, ALogP 4.19, HBA 4, HBD 0, PSA 51.02, QED 0.64