lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): O=C(c1ccc(F)cc1Cl)N1CCn2c(nc(C(F)(F)F)c2Br)C1
InChIKey: LHEMYKNBSMMNCR-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 426.6, ALogP 4.11, HBA 3, HBD 0, PSA 38.13, QED 0.64
Compound (SMILES): O=C(c1ccc(Cl)cc1Cl)N1CCn2c(nnc2-c2ccc(F)cc2)C1
InChIKey: VMRGMMQMAQNDBX-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 391.23, ALogP 4.05, HBA 4, HBD 0, PSA 51.02, QED 0.66
Compound (SMILES): O=C(c1ccc(Cl)cc1Cl)N1CCn2c(nnc2-c2ccc(F)cc2F)C1
InChIKey: KGRYGOUXXIAHSP-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 409.22, ALogP 4.19, HBA 4, HBD 0, PSA 51.02, QED 0.64
Compound (SMILES): O=C(c1ccc(Cl)cc1Cl)N1CCn2c(nnc2-c2ccncn2)C1
InChIKey: PSGZBPHAAGGIJD-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(c1ccccc1Cl)N1CCn2c(nnc2-c2cscn2)C1
InChIKey: JVWZUYHFYMRLSW-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 345.81, ALogP 2.71, HBA 6, HBD 0, PSA 63.91, QED 0.72
Compound (SMILES): O=C(c1ccc(Cl)c(Cl)c1)N1CCn2c(nnc2-c2cnccn2)C1
InChIKey: INKWKJKHJJUEDX-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(Cl)c(C(F)(F)F)c1)N1CCn2c(nnc2-c2cnccn2)C1
InChIKey: INCJDDSSVKJVGJ-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 408.77, ALogP 3.06, HBA 6, HBD 0, PSA 76.8, QED 0.65
Compound (SMILES): O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCn2c(nnc2-c2cnccn2)C1
InChIKey: HACFNXCAULXZQT-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 392.32, ALogP 2.55, HBA 6, HBD 0, PSA 76.8, QED 0.63
Compound (SMILES): O=C(c1ccc(F)c(Cl)c1)N1CCn2c(nnc2-c2cnccn2)C1
InChIKey: LVPGUNURAIICSX-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 358.76, ALogP 2.18, HBA 6, HBD 0, PSA 76.8, QED 0.7
Compound (SMILES): Cc1cc(F)ccc1C(=O)N1CCn2c(nnc2-c2cnccn2)C1
InChIKey: AURZOEYSCRTDPA-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 338.35, ALogP 1.84, HBA 6, HBD 0, PSA 76.8, QED 0.71
Compound (SMILES): O=C(c1ccccc1Cl)N1CCn2c(nnc2-c2ccncn2)C1
InChIKey: KEQYDJXUHRBNPO-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 340.77, ALogP 2.04, HBA 6, HBD 0, PSA 76.8, QED 0.71
Compound (SMILES): O=C(c1ccccc1Cl)N1CCn2c(nnc2-c2ccc(F)cn2)C1
InChIKey: HWVODVRUVXSUER-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 357.78, ALogP 2.79, HBA 5, HBD 0, PSA 63.91, QED 0.71
Compound (SMILES): O=C(c1ccccc1Cl)N1CCn2c(nnc2-c2ccc(F)cc2)C1
InChIKey: PFZDLRCVQSXJEB-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 356.79, ALogP 3.39, HBA 4, HBD 0, PSA 51.02, QED 0.71
Compound (SMILES): O=C(c1ccccc1Cl)N1CCn2c(nnc2-c2cnccn2)C1
InChIKey: ZXVYKPLAXIZJIC-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 340.77, ALogP 2.04, HBA 6, HBD 0, PSA 76.8, QED 0.71
Compound (SMILES): O=C(c1ccccc1Cl)N1CCn2c(nnc2-c2ncccc2F)C1
InChIKey: DAIBJDVGQUEYSZ-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 357.78, ALogP 2.79, HBA 5, HBD 0, PSA 63.91, QED 0.71
Compound (SMILES): O=C(c1ccccc1C(F)(F)F)N1CCn2c(nnc2-c2ccccn2)C1
InChIKey: SZDLZAFAHKHBDN-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 63.1 nM (pChEMBL 7.199999809265137)
Descriptors: MW 373.34, ALogP 3.01, HBA 5, HBD 0, PSA 63.91, QED 0.69
Compound (SMILES): O=C(c1ccc(F)c(Cl)c1Cl)N1CCn2c(nnc2-c2cnccn2)C1
InChIKey: VOZZHBAHNGPQEW-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 393.21, ALogP 2.84, HBA 6, HBD 0, PSA 76.8, QED 0.63
Compound (SMILES): O=C(c1ccc(Cl)c(F)c1Cl)N1CCn2c(nnc2-c2cnccn2)C1
InChIKey: JYVDDGMTFMGMOW-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 393.21, ALogP 2.84, HBA 6, HBD 0, PSA 76.8, QED 0.63
Compound (SMILES): O=C(c1ccc(Cl)c(F)c1Cl)N1CCn2c(nnc2-c2ccncn2)C1
InChIKey: ZIPLPYGIRYAFHV-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 393.21, ALogP 2.84, HBA 6, HBD 0, PSA 76.8, QED 0.63
Compound (SMILES): O=C(c1ccc(F)cc1Cl)N1CCn2c(nnc2-c2cccc(F)c2)C1
InChIKey: LVWGHNNWQAYBDM-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 374.78, ALogP 3.53, HBA 4, HBD 0, PSA 51.02, QED 0.69
Compound (SMILES): O=C(c1ccc(F)cc1Cl)N1CCn2c(nnc2-c2ccc(F)c(F)c2)C1
InChIKey: WKIAKRVWSFTGNA-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 392.77, ALogP 3.67, HBA 4, HBD 0, PSA 51.02, QED 0.67
Compound (SMILES): O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nc(Cl)c2Br)C1
InChIKey: IZDGERCBGDYNKR-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 443.05, ALogP 4.63, HBA 3, HBD 0, PSA 38.13, QED 0.65
Compound (SMILES): O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nc(Br)c2-c2ccc(F)cc2)C1
InChIKey: SLQKYRLTYSTYHX-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 502.69, ALogP 5.78, HBA 3, HBD 0, PSA 38.13, QED 0.42
Compound (SMILES): COc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2Cl)C3)c1
InChIKey: JZUAKHXYCFPQER-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 386.81, ALogP 3.4, HBA 5, HBD 0, PSA 60.25, QED 0.69
Compound (SMILES): O=C(c1ccc(F)cc1Cl)N1CCn2c(nnc2-c2cccc(Cl)c2)C1
InChIKey: JGLAGABYOFHCFP-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 391.23, ALogP 4.05, HBA 4, HBD 0, PSA 51.02, QED 0.66
Compound (SMILES): COc1ccccc1-c1nnc2n1CCN(C(=O)c1ccc(F)cc1Cl)C2
InChIKey: TUKMOBIARHYXKY-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 386.81, ALogP 3.4, HBA 5, HBD 0, PSA 60.25, QED 0.69
Compound (SMILES): O=C(c1ccc(F)c(Cl)c1Cl)N1CCn2c(nnc2-c2ccc(F)cn2)C1
InChIKey: BDZJDRIXKCMUGC-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 410.21, ALogP 3.58, HBA 5, HBD 0, PSA 63.91, QED 0.61
Compound (SMILES): O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nc(C(F)(F)F)c2-c2ccc(F)cc2)C1
InChIKey: FEAWCZBDPGAGBT-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 491.79, ALogP 6.04, HBA 3, HBD 0, PSA 38.13, QED 0.41
Compound (SMILES): O=C(c1ccc(Cl)cc1Cl)N1CCn2c(nc(C(F)(F)F)c2-c2ccc(F)cc2)C1
InChIKey: RUYUPOKLFADKCI-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 458.24, ALogP 5.67, HBA 3, HBD 0, PSA 38.13, QED 0.46
Compound (SMILES): O=C(c1ccc(F)cc1Cl)N1CCn2c(nnc2-c2cccc3cccnc23)C1
InChIKey: PTUZVOUUWJICSQ-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 407.84, ALogP 3.94, HBA 5, HBD 0, PSA 63.91, QED 0.5
Compound (SMILES): O=C(c1ccc(F)cc1Cl)N1CCn2c(nnc2-c2cccc(Cl)c2Cl)C1
InChIKey: BFWBGCVCSKBCNO-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 425.68, ALogP 4.7, HBA 4, HBD 0, PSA 51.02, QED 0.6
Compound (SMILES): O=C(c1ccc(F)cc1Cl)N1CCn2c(nnc2-c2cccc(F)c2F)C1
InChIKey: UWGSFPMNNGWVBP-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 392.77, ALogP 3.67, HBA 4, HBD 0, PSA 51.02, QED 0.67
Compound (SMILES): O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(Cl)cnc2C1
InChIKey: PJJKPVBTXQXKSP-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 364.15, ALogP 3.86, HBA 3, HBD 0, PSA 38.13, QED 0.77
Compound (SMILES): O=C(NCc1ccc(F)cc1Cl)C1CC(=O)N(C2CC2)C1
InChIKey: SLDGLTYRAJJVSE-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 310.76, ALogP 2.11, HBA 2, HBD 1, PSA 49.41, QED 0.93
Compound (SMILES): CN1C(=O)CC[C@@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIKey: BJEMSIVBBUBXMZ-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 = 15.85 nM (pChEMBL 7.800000190734863)
Descriptors: MW 334.73, ALogP 2.6, HBA 2, HBD 1, PSA 49.41, QED 0.92
Compound (SMILES): Cc1c(Cl)cccc1CNC(=O)[C@H]1CCC(=O)N1C
InChIKey: QUJLAJRHAKHLCR-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 = 100 nM (pChEMBL 7)
Descriptors: MW 280.76, ALogP 1.89, HBA 2, HBD 1, PSA 49.41, QED 0.92
Compound (SMILES): O=C(NCc1ccc(F)cc1Cl)[C@H]1CCC(=O)N1C1CCC1
InChIKey: FNVZHBIISXOKGX-CQSZACIVSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 324.78, ALogP 2.64, HBA 2, HBD 1, PSA 49.41, QED 0.93
Compound (SMILES): CC1=CC(=O)N(C2CC2)C1C(=O)NCc1ccc(Cl)cc1Cl
InChIKey: PZOYBSXLWBUYMF-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 339.22, ALogP 2.93, HBA 2, HBD 1, PSA 49.41, QED 0.92
Compound (SMILES): Cc1c(CNC(=O)[C@@H]2CCC(=O)N2C)cccc1C(F)(F)F
InChIKey: AIRKCBQCMKXTFG-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 314.31, ALogP 2.25, HBA 2, HBD 1, PSA 49.41, QED 0.93
Compound (SMILES): CN1C(=O)CC[C@H]1C(=O)NCc1ccc(F)cc1Br
InChIKey: XHSFZGHSMQYGEO-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 = 39.81 nM (pChEMBL 7.400000095367432)
Descriptors: MW 329.17, ALogP 1.83, HBA 2, HBD 1, PSA 49.41, QED 0.92
Compound (SMILES): CN1C(=O)CC[C@H]1C(=O)NCc1cccc(F)c1C(F)(F)F
InChIKey: ASXGWFGEKHKXNT-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 = 199.53 nM (pChEMBL 6.699999809265137)
Descriptors: MW 318.27, ALogP 2.08, HBA 2, HBD 1, PSA 49.41, QED 0.87
Compound (SMILES): O=C(NCc1cccc(C(F)(F)F)c1Cl)C1CCCC(=O)N1Cc1ccccc1
InChIKey: LSOBMBJHNCZRSG-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 424.85, ALogP 4.56, HBA 2, HBD 1, PSA 49.41, QED 0.76
Compound (SMILES): O=C(NCc1ccc(F)cc1Cl)C1CCCC(=O)N1Cc1ccccc1
InChIKey: JQZZWWPHSOFVCU-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 374.84, ALogP 3.68, HBA 2, HBD 1, PSA 49.41, QED 0.87
Compound (SMILES): CCN1C(=O)CC[C@H]1C(=O)NCc1ccc(F)c(Cl)c1Cl
InChIKey: QVOYKSNKGDRKRI-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 = 3.162 nM (pChEMBL 8.5)
Descriptors: MW 333.19, ALogP 2.76, HBA 2, HBD 1, PSA 49.41, QED 0.86
Compound (SMILES): O=C(NCc1cccc(C(F)(F)F)c1Cl)C1CCC(=O)N1C1CC1
InChIKey: PFQGMOIIEOEFEH-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 = 1.259 nM (pChEMBL 8.899999618530273)
Descriptors: MW 360.76, ALogP 3.13, HBA 2, HBD 1, PSA 49.41, QED 0.9
Compound (SMILES): CCN1C(=O)CCCC1C(=O)NCc1ccc(Cl)cc1Cl
InChIKey: QMMZOEZYJBOYMF-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 329.23, ALogP 3.01, 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-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 318.27, ALogP 2.08, HBA 2, HBD 1, PSA 49.41, QED 0.87
Compound (SMILES): Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@@H]1CCC(=O)N1C
InChIKey: NTNYKVDQHGILPR-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 = 1.259 nM (pChEMBL 8.899999618530273)
Descriptors: MW 315.2, ALogP 2.54, HBA 2, HBD 1, PSA 49.41, QED 0.93
Compound (SMILES): CN1C(=O)CC[C@H]1C(=O)NCc1cccc2ccccc12
InChIKey: AVROHNMKARYDNB-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 = 1.585 nM (pChEMBL 8.800000190734863)
Descriptors: MW 282.34, ALogP 2.08, HBA 2, HBD 1, PSA 49.41, QED 0.94
Compound (SMILES): O=C(NCc1ccc(Cl)cc1Cl)C1CCCC(=O)N1C1CC1
InChIKey: HJSLLHIJQRTLAA-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 341.24, ALogP 3.15, HBA 2, HBD 1, PSA 49.41, QED 0.91
Compound (SMILES): O=C(NCc1ccc(Cl)cc1Cl)C1CCCC(=O)N1Cc1ccccc1
InChIKey: JSQPJZBDPXREDG-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 391.3, ALogP 4.19, HBA 2, HBD 1, PSA 49.41, QED 0.83
Compound (SMILES): CN1CC(C(=O)NCc2cccc(C(F)(F)F)c2Cl)N(C)C1=O
InChIKey: INOUFPKRGMZKSK-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 349.74, ALogP 2.34, HBA 2, HBD 1, PSA 52.65, QED 0.91
Compound (SMILES): CN1C(=O)CCCC1C(=O)NCc1ccc(Cl)cc1Cl
InChIKey: YEHSQGUPLMSNOY-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 315.2, ALogP 2.62, HBA 2, HBD 1, PSA 49.41, QED 0.93
Compound (SMILES): O=C(NCc1cccc(C(F)(F)F)c1Cl)[C@@H]1CCCC(=O)N1Cc1ccccc1
InChIKey: LSOBMBJHNCZRSG-KRWDZBQOSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 424.85, ALogP 4.56, HBA 2, HBD 1, PSA 49.41, QED 0.76
Compound (SMILES): CCN1C(=O)CCC[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIKey: CXJGALUKEJTMJA-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 = 2.512 nM (pChEMBL 8.600000381469727)
Descriptors: MW 362.78, ALogP 3.38, HBA 2, HBD 1, PSA 49.41, QED 0.89
Compound (SMILES): CN1C(=O)CC[C@H]1C(=O)NCc1ccc(F)c(F)c1Cl
InChIKey: GQRUOWKBFQUVKQ-VIFPVBQESA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 39.81 nM (pChEMBL 7.400000095367432)
Descriptors: MW 302.71, ALogP 1.86, HBA 2, HBD 1, PSA 49.41, QED 0.87
Compound (SMILES): CCN1C(=O)C(C)(C)CC1C(=O)NCc1ccc(Cl)cc1Cl
InChIKey: PXNYWODCZOHJMQ-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 343.25, ALogP 3.26, HBA 2, HBD 1, PSA 49.41, QED 0.91
Compound (SMILES): O=C(NCc1ccc(F)cc1Cl)[C@H]1CCC(=O)N1Cc1ccccc1
InChIKey: RHQHVNCBLRJDET-QGZVFWFLSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 79.43 nM (pChEMBL 7.099999904632568)
Descriptors: MW 360.82, ALogP 3.29, HBA 2, HBD 1, PSA 49.41, QED 0.89
Compound (SMILES): O=C(NCc1cccc(C(F)(F)F)c1Cl)[C@H]1CCC(=O)N1Cc1ccccc1
InChIKey: SIHWHBDEWHCWCW-MRXNPFEDSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 410.82, ALogP 4.17, HBA 2, HBD 1, PSA 49.41, QED 0.8
Compound (SMILES): CC(C)(C)CN1C(=O)CCCC1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIKey: LBZCDLFBURWNPW-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 404.86, ALogP 4.4, HBA 2, HBD 1, PSA 49.41, QED 0.81
Compound (SMILES): CC(C)(C)CN1C(=O)CC[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIKey: MKGPGUJIIFWSDH-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 390.83, ALogP 4.01, HBA 2, HBD 1, PSA 49.41, QED 0.84
Compound (SMILES): O=C(NCc1cccc(C(F)(F)F)c1Cl)C1CCCC(=O)N1Cc1c(Cl)cccc1Cl
InChIKey: QYKAWPIRJZPWFZ-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 493.74, ALogP 5.86, HBA 2, HBD 1, PSA 49.41, QED 0.57
Compound (SMILES): O=C(NCc1cccc(C(F)(F)F)c1Cl)[C@H]1CCC(=O)N1C1CCCC1
InChIKey: AMWHFDCQJDIESP-CQSZACIVSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 388.82, ALogP 3.91, HBA 2, HBD 1, PSA 49.41, QED 0.85
Compound (SMILES): CN1C(=O)CC(C)(C)C1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIKey: VVWMBHKNRDAODD-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 362.78, ALogP 3.23, HBA 2, HBD 1, PSA 49.41, QED 0.9
Compound (SMILES): CCC(C)N1C(=O)CC[C@@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIKey: RBDMCBLYUAKCSJ-JLOHTSLTSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 63.1 nM (pChEMBL 7.199999809265137)
Descriptors: MW 376.81, ALogP 3.76, HBA 2, HBD 1, PSA 49.41, QED 0.85
Compound (SMILES): CN1CC(C(=O)NCc2cccc(C(F)(F)F)c2Cl)CC1=O
InChIKey: NWFUSRPKBFAGEK-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 334.73, ALogP 2.45, HBA 2, HBD 1, PSA 49.41, QED 0.92
Compound (SMILES): CCN1C(=O)CCC[C@H]1C(=O)NCc1ccc(Cl)cc1Cl
InChIKey: QMMZOEZYJBOYMF-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 329.23, ALogP 3.01, HBA 2, HBD 1, PSA 49.41, QED 0.92
Compound (SMILES): O=C(NCc1cccc(C(F)(F)F)c1Cl)C1COCC(=O)N1Cc1ccccc1
InChIKey: DGOQDQPGDKAZKV-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 426.82, ALogP 3.4, HBA 3, HBD 1, PSA 58.64, QED 0.8
Compound (SMILES): O=C(NCc1ccc(Cl)cc1Cl)C1COCC(=O)N1Cc1ccccc1
InChIKey: OSPLEICGIDCQNP-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 393.27, ALogP 3.04, HBA 3, HBD 1, PSA 58.64, QED 0.85
Compound (SMILES): CN1C(=O)CCC[C@H]1C(=O)NCc1ccc(Cl)cc1Cl
InChIKey: YEHSQGUPLMSNOY-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 = 12.59 nM (pChEMBL 7.900000095367432)
Descriptors: MW 315.2, ALogP 2.62, HBA 2, HBD 1, PSA 49.41, QED 0.93
Compound (SMILES): CN1C(=O)CCC[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIKey: YGCMKVHDGGAEFD-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 = 3.162 nM (pChEMBL 8.5)
Descriptors: MW 348.75, ALogP 2.99, HBA 2, HBD 1, PSA 49.41, QED 0.91
Compound (SMILES): O=C(NCc1ccc(F)cc1Cl)C1COCC(=O)N1Cc1ccccc1
InChIKey: ZLWAZSDGSOEPRW-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 376.82, ALogP 2.52, HBA 3, HBD 1, PSA 58.64, QED 0.87
Compound (SMILES): O=C(NCc1cccc(C(F)(F)F)c1Cl)[C@H]1CCCC(=O)N1Cc1ccccc1
InChIKey: LSOBMBJHNCZRSG-QGZVFWFLSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 424.85, ALogP 4.56, HBA 2, HBD 1, PSA 49.41, QED 0.76
Compound (SMILES): CCN1C(=O)CC[C@H]1C(=O)NCc1cccc(C)c1C
InChIKey: ANIFLONOGSTYCB-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 = 100 nM (pChEMBL 7)
Descriptors: MW 274.36, ALogP 1.93, HBA 2, HBD 1, PSA 49.41, QED 0.91
Compound (SMILES): CCN1C(=O)CCC[C@H]1C(=O)NCc1ccc(F)c(F)c1F
InChIKey: VAJYXBLNLMQXCS-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 314.31, ALogP 2.12, HBA 2, HBD 1, PSA 49.41, QED 0.87
Compound (SMILES): CN1C(=O)CC[C@H]1C(=O)NCc1ccc(F)c(Cl)c1Cl
InChIKey: MFKKVRGGBPFEBO-VIFPVBQESA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 12.59 nM (pChEMBL 7.900000095367432)
Descriptors: MW 319.16, ALogP 2.37, HBA 2, HBD 1, PSA 49.41, QED 0.87
Compound (SMILES): CC(C)N1C(=O)CC[C@H]1C(=O)NCc1ccc(F)c(Cl)c1Cl
InChIKey: NOOOOMVCOLXGJB-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 347.22, ALogP 3.15, HBA 2, HBD 1, PSA 49.41, QED 0.85
Compound (SMILES): Cc1c(Cl)cccc1CNC(=O)[C@@H]1CCC(=O)N1C(C)C
InChIKey: OOETVSJCCOEXJY-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 = 15.85 nM (pChEMBL 7.800000190734863)
Descriptors: MW 308.81, ALogP 2.66, HBA 2, HBD 1, PSA 49.41, QED 0.93
Compound (SMILES): CC(C)N1C(=O)CC[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIKey: LYKBEBOIQYIUIF-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 = 1.995 nM (pChEMBL 8.699999809265137)
Descriptors: MW 362.78, ALogP 3.37, HBA 2, HBD 1, PSA 49.41, QED 0.89
Compound (SMILES): Cc1c(CNC(=O)[C@@H]2CCC(=O)N2C(C)C)cccc1C(F)(F)F
InChIKey: RCAKAGXDFUEVCR-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 = 3.981 nM (pChEMBL 8.399999618530273)
Descriptors: MW 342.36, ALogP 3.03, HBA 2, HBD 1, PSA 49.41, QED 0.91
Compound (SMILES): CC(C)N1C(=O)CC[C@H]1C(=O)NCc1cccc(Cl)c1Cl
InChIKey: QWRGJFFLJPDGLD-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 = 19.95 nM (pChEMBL 7.699999809265137)
Descriptors: MW 329.23, ALogP 3.01, HBA 2, HBD 1, PSA 49.41, QED 0.92
Compound (SMILES): CC(C)N1C(=O)CC[C@H]1C(=O)NCc1ccc(F)c(F)c1Cl
InChIKey: JNPDKYJPTWCWES-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 = 19.95 nM (pChEMBL 7.699999809265137)
Descriptors: MW 330.76, ALogP 2.63, HBA 2, HBD 1, PSA 49.41, QED 0.86
Compound (SMILES): CC(C)N1C(=O)CC[C@H]1C(=O)NCc1ccc(Cl)cc1Cl
InChIKey: SFJIKAKBSISMBR-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 329.23, ALogP 3.01, HBA 2, HBD 1, PSA 49.41, QED 0.92
Compound (SMILES): CN1CC(C(=O)NCc2ccc(Cl)cc2Cl)CC1=O
InChIKey: QYVSZEUZSMGCQW-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 301.17, ALogP 2.09, HBA 2, HBD 1, PSA 49.41, QED 0.93
Compound (SMILES): CCN1CC(C(=O)NCc2ccc(Cl)cc2Cl)CC1=O
InChIKey: PGGAEJOEVSPJME-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 2.48, HBA 2, HBD 1, PSA 49.41, QED 0.93
Compound (SMILES): CCN1CC(C(=O)NCc2cccc(C(F)(F)F)c2Cl)CC1=O
InChIKey: SOIBRVHGCYRNLI-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 2.84, HBA 2, HBD 1, PSA 49.41, QED 0.91
Compound (SMILES): O=C(NCc1ccc(Cl)cc1Cl)[C@H]1CCCC(=O)N1Cc1ccccc1
InChIKey: JSQPJZBDPXREDG-GOSISDBHSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 391.3, ALogP 4.19, HBA 2, HBD 1, PSA 49.41, QED 0.83
Compound (SMILES): CC(C)CN1CC(C(=O)NCc2cccc(C(F)(F)F)c2Cl)CC1=O
InChIKey: ZAKLBLDWTDQACM-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 376.81, ALogP 3.48, HBA 2, HBD 1, PSA 49.41, QED 0.85
Compound (SMILES): CC(C)CN1CC(C(=O)NCc2ccc(Cl)cc2Cl)CC1=O
InChIKey: CLDJJASSLWBAPM-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 343.25, ALogP 3.11, HBA 2, HBD 1, PSA 49.41, QED 0.89
Compound (SMILES): O=C(NCc1ccc(Cl)cc1Cl)C1CC(=O)N(C2CC2)C1
InChIKey: CLMBTROZEZKUNI-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 327.21, ALogP 2.62, HBA 2, HBD 1, PSA 49.41, QED 0.92
Compound (SMILES): O=C(NCc1cccc(C(F)(F)F)c1Cl)C1CC(=O)N(C2CC2)C1
InChIKey: NIRHZAGRDKJTAO-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 360.76, ALogP 2.99, HBA 2, HBD 1, PSA 49.41, QED 0.9
Compound (SMILES): CCN1C(=O)CCC[C@@H]1C(=O)NCc1ccc(Cl)cc1Cl
InChIKey: QMMZOEZYJBOYMF-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 = 63.1 nM (pChEMBL 7.199999809265137)
Descriptors: MW 329.23, ALogP 3.01, HBA 2, HBD 1, PSA 49.41, QED 0.92
Compound (SMILES): CN1C(=O)OC[C@@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIKey: ONNLHBQOUYFFMZ-SECBINFHSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 336.7, ALogP 2.43, HBA 3, HBD 1, PSA 58.64, QED 0.92
Compound (SMILES): CCN1[C@H](C(=O)NCc2ccc(Cl)cc2Cl)CCCS1(=O)=O
InChIKey: STKBCDOYIAQZAI-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 365.28, ALogP 2.42, HBA 3, HBD 1, PSA 66.48, QED 0.89
Compound (SMILES): CCN1[C@H](C(=O)NCc2ccc(F)cc2Cl)CCCS1(=O)=O
InChIKey: TVMFOOLPBAUJCL-ZDUSSCGKSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 630.96 nM (pChEMBL 6.199999809265137)
Descriptors: MW 348.83, ALogP 1.91, HBA 3, HBD 1, PSA 66.48, QED 0.9
Compound (SMILES): CN1[C@H](C(=O)NCc2ccc(Cl)cc2Cl)CCCS1(=O)=O
InChIKey: NISRPTDTMJILRA-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 = 251.19 nM (pChEMBL 6.599999904632568)
Descriptors: MW 351.25, ALogP 2.03, HBA 3, HBD 1, PSA 66.48, QED 0.91
Compound (SMILES): O=C(NCc1cccc(C(F)(F)F)c1Cl)C1CC(=O)N(Cc2ccccc2)C1
InChIKey: SNGZRSUJQKMXGI-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 410.82, ALogP 4.02, HBA 2, HBD 1, PSA 49.41, QED 0.81
Compound (SMILES): Cc1c(Cl)cccc1CNC(=O)[C@@H]1CCC(=O)N1C1CCC1
InChIKey: DYOGPEBHHKJXFD-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 320.82, ALogP 2.81, HBA 2, HBD 1, PSA 49.41, QED 0.93
Compound (SMILES): O=C1C(=O)N(c2cccc3ccccc23)CCN1Cc1c(F)cccc1Cl
InChIKey: GMQNOEMLCJJHFO-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 382.82, ALogP 4.01, HBA 2, HBD 0, PSA 40.62, QED 0.64
Compound (SMILES): O=C1C(=O)N(c2cccc3ccccc23)CCN1Cc1ccc(F)cc1Cl
InChIKey: UGKMQCDSLUFUJR-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 382.82, ALogP 4.01, HBA 2, HBD 0, PSA 40.62, QED 0.64
Compound (SMILES): O=C(NCc1cccc(C(F)(F)F)c1Cl)[C@@H]1CCC(=O)N1C1CCC1
InChIKey: SRCBZZAEJSONIW-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 = 1.995 nM (pChEMBL 8.699999809265137)
Descriptors: MW 374.79, ALogP 3.52, HBA 2, HBD 1, PSA 49.41, QED 0.88
Compound (SMILES): O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCC(=O)N1C1CCC1
InChIKey: CDAWFUSIRQYBPO-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 341.24, ALogP 3.15, HBA 2, HBD 1, PSA 49.41, QED 0.91
Compound (SMILES): O=C(NCc1ccc(F)c(F)c1Cl)[C@@H]1CCC(=O)N1C1CCC1
InChIKey: RHGAWEWDJIZYQP-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 = 10 nM (pChEMBL 8)
Descriptors: MW 342.77, ALogP 2.78, HBA 2, HBD 1, PSA 49.41, QED 0.86
Compound (SMILES): O=C(NCc1cccc(Cl)c1Cl)[C@@H]1CCC(=O)N1C1CCC1
InChIKey: QFWILIDPEZCLHG-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 = 12.59 nM (pChEMBL 7.900000095367432)
Descriptors: MW 341.24, ALogP 3.15, HBA 2, HBD 1, PSA 49.41, QED 0.91
Compound (SMILES): Cc1c(CNC(=O)[C@@H]2CCC(=O)N2C2CCC2)cccc1C(F)(F)F
InChIKey: WBVRIDGDBSZIBV-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 = 3.162 nM (pChEMBL 8.5)
Descriptors: MW 354.37, ALogP 3.17, HBA 2, HBD 1, PSA 49.41, QED 0.9
Compound (SMILES): CCN1[C@H](C(=O)NCc2ccc(F)c(F)c2F)CCCS1(=O)=O
InChIKey: VCSOAPGRCOQDDX-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 = 630.96 nM (pChEMBL 6.199999809265137)
Descriptors: MW 350.36, ALogP 1.53, HBA 3, HBD 1, PSA 66.48, QED 0.84
Compound (SMILES): CC(C)CN1[C@H](C(=O)NCc2ccc(Cl)cc2Cl)CCS1(=O)=O
InChIKey: FLWFTHQICXUTTH-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 = 158.49 nM (pChEMBL 6.800000190734863)
Descriptors: MW 379.31, ALogP 2.67, HBA 3, HBD 1, PSA 66.48, QED 0.86
Compound (SMILES): CC(C)CN1[C@H](C(=O)NCc2ccc(F)cc2Cl)CCS1(=O)=O
InChIKey: HVLGQIZDHDRVCN-AWEZNQCLSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 501.19 nM (pChEMBL 6.300000190734863)
Descriptors: MW 362.85, ALogP 2.16, HBA 3, HBD 1, PSA 66.48, QED 0.87
Compound (SMILES): CN1C[C@@H](C(=O)NCc2ccc(F)c(F)c2Cl)N(C)C1=O
InChIKey: LHZOHCSSDHZAOV-VIFPVBQESA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 3.162 nM (pChEMBL 8.5)
Descriptors: MW 317.72, ALogP 1.6, HBA 2, HBD 1, PSA 52.65, QED 0.86
Compound (SMILES): O=C(NCc1ccc(Cl)cc1Cl)[C@H]1CCC(=O)N1Cc1cccnc1
InChIKey: REVMNCWOWZSCJH-MRXNPFEDSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 378.26, ALogP 3.2, HBA 3, HBD 1, PSA 62.3, QED 0.87
Compound (SMILES): O=C(NCc1cccc(C(F)(F)F)c1Cl)[C@H]1CCC(=O)N1Cc1cccnc1
InChIKey: UYQYDZPFNWIRER-OAHLLOKOSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 50.12 nM (pChEMBL 7.300000190734863)
Descriptors: MW 411.81, ALogP 3.56, HBA 3, HBD 1, PSA 62.3, QED 0.82