lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): Cc1cnn(C)c1CC(=O)NCc1ccc(F)c(F)c1Cl
InChIKey: QASWZDSCRADHQA-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 313.74, ALogP 2.52, HBA 3, HBD 1, PSA 46.92, QED 0.88
Compound (SMILES): O=C(c1ccc(F)cc1Cl)N1CCn2c(-c3cnccn3)cnc2C1
InChIKey: JMWGYBXAQOLLOO-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 357.78, ALogP 2.79, HBA 5, HBD 0, PSA 63.91, QED 0.71
Compound (SMILES): O=C(c1ccc(Cl)cc1Cl)N1CCn2c(Cl)cnc2C1
InChIKey: CWXMFSIEGVTSHT-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 330.6, ALogP 3.5, HBA 3, HBD 0, PSA 38.13, QED 0.8
Compound (SMILES): O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(-c3cnccn3)cnc2C1
InChIKey: VMSBZGDNJARIGA-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 407.78, ALogP 3.67, HBA 5, HBD 0, PSA 63.91, QED 0.65
Compound (SMILES): O=C(c1ccc(F)cc1Cl)N1CCn2c(nnc2-c2cccc3cc[nH]c23)C1
InChIKey: VXXPYJCZDMPCHE-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 395.83, ALogP 3.87, HBA 4, HBD 1, PSA 66.81, QED 0.56
Compound (SMILES): O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nc(Cl)c2Cl)C1
InChIKey: FRBRBUDKCAAXJU-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 398.6, ALogP 4.52, HBA 3, HBD 0, PSA 38.13, QED 0.71
Compound (SMILES): O=C(c1ccc(Cl)cc1Cl)N1CCn2c(nc(Cl)c2Cl)C1
InChIKey: DELZVBUTDRXRBU-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 365.05, ALogP 4.15, HBA 3, HBD 0, PSA 38.13, QED 0.76
Compound (SMILES): O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(-c3nccs3)cnc2C1
InChIKey: HSODDALEEGUMTO-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 412.82, ALogP 4.33, HBA 5, HBD 0, PSA 51.02, QED 0.63
Compound (SMILES): O=C(c1ccc(F)cc1Cl)N1CCn2c(-c3ccc(F)cn3)cnc2C1
InChIKey: FJWCJWAUQSAPMA-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 374.78, ALogP 3.53, HBA 4, HBD 0, PSA 51.02, QED 0.69
Compound (SMILES): O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2C2CC2)C1
InChIKey: UQCCHJRVKMRHGH-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 370.76, ALogP 3.48, HBA 4, HBD 0, PSA 51.02, QED 0.81
Compound (SMILES): CCCc1nnc2n1CCN(C(=O)c1cccc(C(F)(F)F)c1Cl)C2
InChIKey: SXFFBUXFJKZBEN-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 372.78, ALogP 3.56, HBA 4, HBD 0, PSA 51.02, QED 0.83
Compound (SMILES): O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2C2CCCCC2)C1
InChIKey: PRXIPCHXQZPQRW-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 412.84, ALogP 4.65, HBA 4, HBD 0, PSA 51.02, QED 0.72
Compound (SMILES): Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2Cl)C3)cs1
InChIKey: MIQZEFLSLWWDJK-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 377.83, ALogP 3.16, HBA 6, HBD 0, PSA 63.91, QED 0.69
Compound (SMILES): COCCc1nnc2n1CCN(C(=O)c1cccc(C(F)(F)F)c1Cl)C2
InChIKey: ASSNYYJIRKDLHH-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 388.78, ALogP 2.8, HBA 5, HBD 0, PSA 60.25, QED 0.81
Compound (SMILES): O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2-c2ccccc2O)C1
InChIKey: LNQFIEXRIWXDDP-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 422.79, ALogP 3.98, HBA 5, HBD 1, PSA 71.25, QED 0.68
Compound (SMILES): O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(-c3ncccn3)cnc2C1
InChIKey: VOPKZCCWYOPVIH-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 407.78, ALogP 3.67, HBA 5, HBD 0, PSA 63.91, QED 0.65
Compound (SMILES): O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(-c3cscn3)cnc2C1
InChIKey: RBYLYGXTEZQLIE-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 412.82, ALogP 4.33, HBA 5, HBD 0, PSA 51.02, QED 0.63
Compound (SMILES): O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2C2CCCC2)C1
InChIKey: ZPICKEYZORWSOS-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 398.82, ALogP 4.26, HBA 4, HBD 0, PSA 51.02, QED 0.76
Compound (SMILES): Cn1ccnc1-c1nnc2n1CCN(C(=O)c1ccc(F)cc1Cl)C2
InChIKey: YTGPNKWDXUSBGX-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 360.78, ALogP 2.13, HBA 6, HBD 0, PSA 68.84, QED 0.7
Compound (SMILES): O=C(c1ccc(F)cc1Cl)N1CCn2c(nnc2-c2cnc(Cl)cn2)C1
InChIKey: BLYNAMFFYGDEND-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 393.21, ALogP 2.84, HBA 6, HBD 0, PSA 76.8, QED 0.67
Compound (SMILES): O=C(c1ccc(Cl)cc1C(F)(F)F)N1CCn2c(nnc2-c2cnccn2)C1
InChIKey: SPAKSQVGLFVYQI-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 408.77, ALogP 3.06, HBA 6, HBD 0, PSA 76.8, QED 0.65
Compound (SMILES): Cc1ccc(C(=O)N2CCn3c(nnc3-c3cnccn3)C2)c(C)c1
InChIKey: OBOUOSPFQNETAP-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 334.38, ALogP 2.01, HBA 6, HBD 0, PSA 76.8, QED 0.72
Compound (SMILES): Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1ccccc1Br
InChIKey: SIKGMYJMXSAJGO-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 398.3, ALogP 4.11, HBA 3, HBD 1, PSA 46.92, QED 0.7
Compound (SMILES): Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1cccc(F)c1F
InChIKey: VLKGDYKHZIDLBZ-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 355.39, ALogP 3.63, HBA 3, HBD 1, PSA 46.92, QED 0.76
Compound (SMILES): Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1c(F)cccc1Cl
InChIKey: IPBPDQSISZXWCQ-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 371.84, ALogP 4.14, HBA 3, HBD 1, PSA 46.92, QED 0.73
Compound (SMILES): Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1cc(C(F)(F)F)ccc1Cl
InChIKey: LDAPVYZDYRUOCT-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 421.85, ALogP 5.02, HBA 3, HBD 1, PSA 46.92, QED 0.63
Compound (SMILES): Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1cc(F)ccc1C(F)(F)F
InChIKey: ZRYHKVSHTQZMDH-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 405.39, ALogP 4.51, HBA 3, HBD 1, PSA 46.92, QED 0.64
Compound (SMILES): Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1c(Cl)cccc1Cl
InChIKey: ZWKPQDHKTQPFPC-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 388.3, ALogP 4.65, HBA 3, HBD 1, PSA 46.92, QED 0.69
Compound (SMILES): Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1cc(Cl)ccc1Cl
InChIKey: GRQBQBDMRPXQIH-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 388.3, ALogP 4.65, HBA 3, HBD 1, PSA 46.92, QED 0.69
Compound (SMILES): Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1ccc(F)cc1C(F)(F)F
InChIKey: SVHIUVCMOLBVOF-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 405.39, ALogP 4.51, HBA 3, HBD 1, PSA 46.92, QED 0.64
Compound (SMILES): Cc1nn(-c2ccc(F)cc2F)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIKey: FERPTKDTDOHYAF-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 407.82, ALogP 4.42, HBA 3, HBD 1, PSA 46.92, QED 0.68
Compound (SMILES): Cc1nn(-c2cccc(F)c2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIKey: PMGNKFCTACUFLD-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 389.83, ALogP 4.28, HBA 3, HBD 1, PSA 46.92, QED 0.71
Compound (SMILES): CN1C(=O)N(c2cnccn2)C[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIKey: AABPDWULYJLDBH-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 413.79, ALogP 2.71, HBA 4, HBD 1, PSA 78.43, QED 0.84
Compound (SMILES): CN1C(=O)N(c2cccnc2Cl)C[C@H]1C(=O)NCc1ccc(Cl)cc1Cl
InChIKey: WBWGZQLRCCLJPG-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 413.69, ALogP 3.6, HBA 3, HBD 1, PSA 65.54, QED 0.78
Compound (SMILES): O=C1CN(C(=O)c2cccc(C(F)(F)F)c2Cl)CCN1Cc1ccccn1
InChIKey: DDLLICZGDAYUFA-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 397.78, ALogP 3.24, HBA 3, HBD 0, PSA 53.51, QED 0.8
Compound (SMILES): O=C1CN(C(=O)c2cccc(C(F)(F)F)c2Cl)CCN1CC1CCC1
InChIKey: QFRANMXDJNTPMN-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 374.79, ALogP 3.44, HBA 2, HBD 0, PSA 40.62, QED 0.81
Compound (SMILES): O=C(c1cccc(C(F)(F)F)c1Cl)N1CCN(C2CCCC2)C(=O)C1
InChIKey: YFTGSJQGXYVXNE-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 374.79, ALogP 3.59, HBA 2, HBD 0, PSA 40.62, QED 0.79
Compound (SMILES): O=C1CN(C(=O)c2cccc(C(F)(F)F)c2Cl)CCN1CC1CCCO1
InChIKey: ACIGYBBWLJMRHH-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 390.79, ALogP 2.82, HBA 3, HBD 0, PSA 49.85, QED 0.8
Compound (SMILES): CN1C(=O)NC[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1F
InChIKey: DYWWMFHCJOFNBX-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 319.26, ALogP 1.48, HBA 2, HBD 2, PSA 61.44, QED 0.83
Compound (SMILES): Cc1c(CNC(=O)[C@@H]2CNC(=O)N2C)cccc1C(F)(F)F
InChIKey: YAFYTEUTGDIFDN-NSHDSACASA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 1.995 nM (pChEMBL 8.699999809265137)
Descriptors: MW 315.3, ALogP 1.65, HBA 2, HBD 2, PSA 61.44, QED 0.89
Compound (SMILES): CN1C(=O)NC[C@H]1C(=O)NCc1ccc(Cl)c(C(F)(F)F)c1
InChIKey: LANWUAYMZWWASX-JTQLQIEISA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 158.49 nM (pChEMBL 6.800000190734863)
Descriptors: MW 335.71, ALogP 2, HBA 2, HBD 2, PSA 61.44, QED 0.89
Compound (SMILES): CN1C(=O)N(c2cccnc2Cl)C[C@H]1C(=O)NCc1ccc(F)c(F)c1Cl
InChIKey: AERKHUJDDNDUHX-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 415.23, ALogP 3.22, HBA 3, HBD 1, PSA 65.54, QED 0.62
Compound (SMILES): CN1C(=O)N(c2cccnc2Cl)C[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIKey: SHGQJHIPHUIWRY-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 = 1.585 nM (pChEMBL 8.800000190734863)
Descriptors: MW 447.24, ALogP 3.96, HBA 3, HBD 1, PSA 65.54, QED 0.72
Compound (SMILES): CN1C(=O)NC[C@H]1C(=O)NCc1ccc(F)c(C(F)(F)F)c1
InChIKey: CMTNGGBQOLRRNG-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 = 100 nM (pChEMBL 7)
Descriptors: MW 319.26, ALogP 1.48, HBA 2, HBD 2, PSA 61.44, QED 0.83
Compound (SMILES): Cc1c(Cl)cccc1CNC(=O)[C@@H]1CNC(=O)N1C
InChIKey: PFOFLDVMRINTJQ-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 281.74, ALogP 1.29, HBA 2, HBD 2, PSA 61.44, QED 0.88
Compound (SMILES): Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@@H]1CNC(=O)N1C
InChIKey: AWSMTWQWINXMNQ-NSHDSACASA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 1.259 nM (pChEMBL 8.899999618530273)
Descriptors: MW 316.19, ALogP 1.94, HBA 2, HBD 2, PSA 61.44, QED 0.9
Compound (SMILES): Cc1cc(Cl)ccc1CNC(=O)[C@@H]1CNC(=O)N1C
InChIKey: LWWWLOHYQUNRKJ-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 281.74, ALogP 1.29, HBA 2, HBD 2, PSA 61.44, QED 0.88
Compound (SMILES): CN1C(=O)N(c2ncc(F)cn2)C[C@H]1C(=O)NCc1ccc(Cl)cc1Cl
InChIKey: AWKUOPJJDWHDLQ-ZDUSSCGKSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 3.981 nM (pChEMBL 8.399999618530273)
Descriptors: MW 398.23, ALogP 2.48, HBA 4, HBD 1, PSA 78.43, QED 0.86
Compound (SMILES): CCN1C(=O)NC[C@H]1C(=O)NCc1ccc(Cl)cc1Cl
InChIKey: JGUVTNJUVMRDPW-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 = 12.59 nM (pChEMBL 7.900000095367432)
Descriptors: MW 316.19, ALogP 2.02, HBA 2, HBD 2, PSA 61.44, QED 0.89
Compound (SMILES): CCN1C(=O)NC[C@H]1C(=O)NCc1ccc(F)cc1Cl
InChIKey: GXTUPDFSKUMCEY-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 299.73, ALogP 1.51, HBA 2, HBD 2, PSA 61.44, QED 0.89
Compound (SMILES): CCN1C(=O)NC[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIKey: YZEZNZGQOXRCQI-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 = 3.981 nM (pChEMBL 8.399999618530273)
Descriptors: MW 349.74, ALogP 2.39, HBA 2, HBD 2, PSA 61.44, QED 0.88
Compound (SMILES): Cc1c(Cl)cccc1CNC(=O)[C@@H]1CN(C)C(=O)N1C
InChIKey: AKCHWTAJTKYLFP-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 = 6.31 nM (pChEMBL 8.199999809265137)
Descriptors: MW 295.77, ALogP 1.63, HBA 2, HBD 1, PSA 52.65, QED 0.92
Compound (SMILES): CN1C[C@@H](C(=O)NCc2ccc(F)c(C(F)(F)F)c2)N(C)C1=O
InChIKey: RAMWDXWDFKVLTA-NSHDSACASA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 50.12 nM (pChEMBL 7.300000190734863)
Descriptors: MW 333.29, ALogP 1.83, HBA 2, HBD 1, PSA 52.65, QED 0.86
Compound (SMILES): CN1C[C@@H](C(=O)NCc2ccc(F)c(Cl)c2Cl)N(C)C1=O
InChIKey: FFLYGISUGWQQRN-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 = 2.512 nM (pChEMBL 8.600000381469727)
Descriptors: MW 334.18, ALogP 2.11, HBA 2, HBD 1, PSA 52.65, QED 0.86
Compound (SMILES): CN1C[C@@H](C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)N(C)C1=O
InChIKey: UYZXONZQSUWXBQ-NSHDSACASA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 50.12 nM (pChEMBL 7.300000190734863)
Descriptors: MW 349.74, ALogP 2.34, HBA 2, HBD 1, PSA 52.65, QED 0.91
Compound (SMILES): CN1C[C@@H](C(=O)NCc2ccc(F)c(C(F)(F)F)c2Cl)N(C)C1=O
InChIKey: XHCNRIFVOGAHNU-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 = 1 nM (pChEMBL 9)
Descriptors: MW 367.73, ALogP 2.48, HBA 2, HBD 1, PSA 52.65, QED 0.83
Compound (SMILES): O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2cc(C(F)(F)F)nc2C1
InChIKey: UVLLICGVXSEJTH-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 397.71, ALogP 4.23, HBA 3, HBD 0, PSA 38.13, QED 0.68
Compound (SMILES): O=C(c1ccc(Cl)cc1Cl)N1CCn2cc(C(F)(F)F)nc2C1
InChIKey: JVHHTAAQMUHKOG-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 364.15, ALogP 3.86, HBA 3, HBD 0, PSA 38.13, QED 0.77
Compound (SMILES): COc1ccnc(N2C[C@@H](C(=O)NCc3ccc(Cl)cc3Cl)N(C)C2=O)n1
InChIKey: ZRUOKPXXUPDPOB-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 = 19.95 nM (pChEMBL 7.699999809265137)
Descriptors: MW 410.26, ALogP 2.35, HBA 5, HBD 1, PSA 87.66, QED 0.82
Compound (SMILES): Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@@H]1CN(C)C(=O)N1C
InChIKey: SDPWRDHIEFPFSD-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 = 0.7943 nM (pChEMBL 9.100000381469727)
Descriptors: MW 330.22, ALogP 2.28, HBA 2, HBD 1, PSA 52.65, QED 0.92
Compound (SMILES): CN1C(=O)N(c2ncc(Cl)cn2)C[C@H]1C(=O)NCc1ccc(Cl)cc1Cl
InChIKey: YTCBHHQFQKHTQP-ZDUSSCGKSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 6.31 nM (pChEMBL 8.199999809265137)
Descriptors: MW 414.68, ALogP 2.99, HBA 4, HBD 1, PSA 78.43, QED 0.83
Compound (SMILES): N#CCCN1CCN(C(=O)c2cccc(C(F)(F)F)c2Cl)CC1=O
InChIKey: BXIRRZAMAQQVPG-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 359.74, ALogP 2.56, HBA 3, HBD 0, PSA 64.41, QED 0.83
Compound (SMILES): CC(C#N)N1CCN(C(=O)c2cccc(C(F)(F)F)c2Cl)CC1=O
InChIKey: DWLHUQDSHRKUSL-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 359.74, ALogP 2.56, HBA 3, HBD 0, PSA 64.41, QED 0.81
Compound (SMILES): Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(Cl)cc3Cl)N(C)C2=O)cn1
InChIKey: OSHALKHQKCBIDH-INIZCTEOSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 25.12 nM (pChEMBL 7.599999904632568)
Descriptors: MW 393.27, ALogP 3.25, HBA 3, HBD 1, PSA 65.54, QED 0.87
Compound (SMILES): Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(F)c(F)c3Cl)N(C)C2=O)cn1
InChIKey: JIKJEQSHEJYJGT-AWEZNQCLSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 31.62 nM (pChEMBL 7.5)
Descriptors: MW 394.81, ALogP 2.88, HBA 3, HBD 1, PSA 65.54, QED 0.81
Compound (SMILES): CN1C[C@@H](C(=O)NCc2ccc(Cl)cc2Cl)N(CC(F)F)C1=O
InChIKey: YHKYSMLXNWMSLT-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 366.2, ALogP 2.61, HBA 2, HBD 1, PSA 52.65, QED 0.87
Compound (SMILES): Cc1c(CNC(=O)[C@@H]2CN(C)C(=O)N2C)cccc1C(F)(F)F
InChIKey: OUPCILXHXIGWSG-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 329.32, ALogP 2, HBA 2, HBD 1, PSA 52.65, QED 0.92
Compound (SMILES): Cc1cc(Cl)ccc1CNC(=O)[C@@H]1CN(C)C(=O)N1C
InChIKey: NPYYIDZLNANYJS-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 295.77, ALogP 1.63, HBA 2, HBD 1, PSA 52.65, QED 0.92
Compound (SMILES): CN1C(=O)N(c2ccnc(F)c2)C[C@H]1C(=O)NCc1ccc(Cl)cc1Cl
InChIKey: RFYKXDCIAXHQEU-AWEZNQCLSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 31.62 nM (pChEMBL 7.5)
Descriptors: MW 397.24, ALogP 3.08, HBA 3, HBD 1, PSA 65.54, QED 0.81
Compound (SMILES): CN1C[C@@H](C(=O)NCc2ccc(C#N)cc2Cl)N(C)C1=O
InChIKey: YIPULZSWVGXXEY-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 306.75, ALogP 1.19, HBA 3, HBD 1, PSA 76.44, QED 0.91
Compound (SMILES): CN1C(=O)N(c2ccnc(F)c2)C[C@H]1C(=O)NCc1ccc(F)c(F)c1Cl
InChIKey: IVTBZBIFJFTPCH-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 398.77, ALogP 2.71, HBA 3, HBD 1, PSA 65.54, QED 0.64
Compound (SMILES): Cc1nn(-c2cccc(Cl)c2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIKey: QWYNDYJAKNKSQS-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 406.29, ALogP 4.79, HBA 3, HBD 1, PSA 46.92, QED 0.66
Compound (SMILES): COc1cccc(-n2nc(C)c(CC(=O)NCc3ccc(F)cc3Cl)c2C)c1
InChIKey: ZXFOOKCZJBIYAK-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 401.87, ALogP 4.15, HBA 4, HBD 1, PSA 56.15, QED 0.67
Compound (SMILES): Cc1nn(-c2ccccc2F)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIKey: FZPRECXBHJCLKP-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 389.83, ALogP 4.28, HBA 3, HBD 1, PSA 46.92, QED 0.71
Compound (SMILES): Cc1nn(-c2ccccc2Cl)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIKey: FFGLJYWACPCDDF-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 406.29, ALogP 4.79, HBA 3, HBD 1, PSA 46.92, QED 0.66
Compound (SMILES): COc1ccccc1-n1nc(C)c(CC(=O)NCc2ccc(F)cc2Cl)c1C
InChIKey: GEXDLYSMXJSZHU-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 401.87, ALogP 4.15, HBA 4, HBD 1, PSA 56.15, QED 0.67
Compound (SMILES): Cc1ccc(-n2nc(C)c(CC(=O)NCc3ccc(F)cc3Cl)c2C)cc1
InChIKey: VGBWAGWGPKAKPV-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 385.87, ALogP 4.45, HBA 3, HBD 1, PSA 46.92, QED 0.7
Compound (SMILES): CCOc1ccc(-n2nc(C)c(CC(=O)NCc3ccc(F)cc3Cl)c2C)cc1
InChIKey: NFGBXYBPJWPTDC-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 158.49 nM (pChEMBL 6.800000190734863)
Descriptors: MW 415.9, ALogP 4.54, HBA 4, HBD 1, PSA 56.15, QED 0.62
Compound (SMILES): Cc1nn(-c2ccccn2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIKey: OWGIHSZWLIEWRA-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 372.83, ALogP 3.54, HBA 4, HBD 1, PSA 59.81, QED 0.74
Compound (SMILES): Cc1c(CC(=O)NCc2ccc(F)cc2Cl)c(C(C)C)nn1-c1ccccc1
InChIKey: QXIHLXQAFYNKBG-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 399.9, ALogP 4.96, HBA 3, HBD 1, PSA 46.92, QED 0.64
Compound (SMILES): Cc1nn(-c2ccccc2)c(C(C)C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIKey: CPSZNNZXKHZVKA-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 399.9, ALogP 4.96, HBA 3, HBD 1, PSA 46.92, QED 0.64
Compound (SMILES): Cc1nn(-c2ccc(N3CCCC3=O)cc2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIKey: JWMQRUYUISOHIQ-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 454.93, ALogP 4.27, HBA 4, HBD 1, PSA 67.23, QED 0.6
Compound (SMILES): Cc1nn(-c2ccc(C#N)cn2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIKey: IBSAYGVPSSLDKN-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 397.84, ALogP 3.41, HBA 5, HBD 1, PSA 83.6, QED 0.71
Compound (SMILES): Cc1nn(-c2ncc(Cl)cc2Cl)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIKey: AIOQQPKMDDZFTH-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 441.72, ALogP 4.84, HBA 4, HBD 1, PSA 59.81, QED 0.62
Compound (SMILES): Cc1nn(-c2ccncc2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIKey: VSASFANEKAHCJQ-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 372.83, ALogP 3.54, HBA 4, HBD 1, PSA 59.81, QED 0.74
Compound (SMILES): Cc1nn(-c2ccc(Cl)cn2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIKey: XHMWEZRDHZERJM-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 407.28, ALogP 4.19, HBA 4, HBD 1, PSA 59.81, QED 0.69
Compound (SMILES): Cc1nn(-c2nccs2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIKey: PEHCNKLSFQVERZ-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 378.86, ALogP 3.6, HBA 5, HBD 1, PSA 59.81, QED 0.74
Compound (SMILES): Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1ccc(Cl)c(Cl)c1
InChIKey: KYTUBHAMRJRKTM-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 388.3, ALogP 4.65, HBA 3, HBD 1, PSA 46.92, QED 0.69
Compound (SMILES): Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1ccc(F)c(C(F)(F)F)c1
InChIKey: XVMJSSHJMLJKPI-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 405.39, ALogP 4.51, HBA 3, HBD 1, PSA 46.92, QED 0.64
Compound (SMILES): Cc1c(CC(=O)NCc2ccc(F)cc2Cl)cnn1-c1ccc(F)cc1
InChIKey: XMZAWRONWIYPHF-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 375.81, ALogP 3.97, HBA 3, HBD 1, PSA 46.92, QED 0.73
Compound (SMILES): Cc1nn(-c2ncccc2C(F)(F)F)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIKey: FOWATKCNPWMPIV-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 440.83, ALogP 4.55, HBA 4, HBD 1, PSA 59.81, QED 0.59
Compound (SMILES): Cc1nn(C2CCN(Cc3ccccc3)CC2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIKey: PFCQNQGDHFAUDQ-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 469, ALogP 4.99, HBA 4, HBD 1, PSA 50.16, QED 0.53
Compound (SMILES): Cc1nn(C(C)C)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIKey: IOGPTCCOMHKKMN-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 337.83, ALogP 3.73, HBA 3, HBD 1, PSA 46.92, QED 0.9
Compound (SMILES): Cc1nn(CC2CCCCC2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIKey: QNLLGGXZOAGAFQ-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 391.92, ALogP 4.73, HBA 3, HBD 1, PSA 46.92, QED 0.77
Compound (SMILES): CCn1nc(C)c(CC(=O)NCc2ccc(F)cc2Cl)c1C
InChIKey: LRWYRVHVJZGYDU-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 323.8, ALogP 3.17, HBA 3, HBD 1, PSA 46.92, QED 0.92
Compound (SMILES): Cc1nn(CC(C)(C)C)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIKey: ODUNSAISNAIMDW-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 365.88, ALogP 4.2, HBA 3, HBD 1, PSA 46.92, QED 0.86
Compound (SMILES): Cc1nn(Cc2ccccc2N(C)C)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIKey: QTZNGCQHSBZVCY-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 428.94, ALogP 4.27, HBA 4, HBD 1, PSA 50.16, QED 0.61
Compound (SMILES): Cc1nn(C2CCN(C)CC2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIKey: CZUKHOFDTODWQY-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 125.89 nM (pChEMBL 6.900000095367432)
Descriptors: MW 392.91, ALogP 3.42, HBA 4, HBD 1, PSA 50.16, QED 0.85
Compound (SMILES): Cc1nn(CC(F)(F)F)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIKey: IHRSHTGSQRISRX-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 377.77, ALogP 3.71, HBA 3, HBD 1, PSA 46.92, QED 0.81
Compound (SMILES): Cc1nn(Cc2nc3ccccc3s2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIKey: XBIZSAJYDPBPRN-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 442.95, ALogP 4.81, HBA 5, HBD 1, PSA 59.81, QED 0.47
Compound (SMILES): Cc1nn(-c2ccc(C(=O)NCc3ccccn3)cc2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIKey: WHMBJWYDHBKTLZ-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 505.98, ALogP 4.47, HBA 5, HBD 2, PSA 88.91, QED 0.37
Compound (SMILES): Cc1nn(CC(C)C)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIKey: ATEYHIRZVVZYKA-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 351.85, ALogP 3.81, HBA 3, HBD 1, PSA 46.92, QED 0.86
Compound (SMILES): Cc1nn(C2CCCC2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIKey: SJZGKSPSPQDYKC-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 363.86, ALogP 4.27, HBA 3, HBD 1, PSA 46.92, QED 0.86
Compound (SMILES): Cc1nn(C2CCOCC2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIKey: JNIIJUKPZMVOOU-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 379.86, ALogP 3.5, HBA 4, HBD 1, PSA 56.15, QED 0.86
Compound (SMILES): O=C(Cc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)NCc1ccc(F)cc1Cl
InChIKey: YBRDBJZFAOYWET-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 429.78, ALogP 4.68, HBA 3, HBD 1, PSA 46.92, QED 0.6
Compound (SMILES): Cc1ccc(-n2nc(C)c(CC(=O)NCc3ccc(F)cc3Cl)c2C)nn1
InChIKey: OKBXCVJGUCOVQE-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 387.85, ALogP 3.24, HBA 5, HBD 1, PSA 72.7, QED 0.73
Compound (SMILES): Cc1nn(CC(=O)O)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIKey: RYYZUTHQZAYXNF-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 353.78, ALogP 2.24, HBA 4, HBD 2, PSA 84.22, QED 0.83
Compound (SMILES): CCN(CC)C(=O)Cn1nc(C)c(CC(=O)NCc2ccc(F)cc2Cl)c1C
InChIKey: QKOACKPTVOBMSJ-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 408.91, ALogP 3.02, HBA 4, HBD 1, PSA 67.23, QED 0.73
Compound (SMILES): Cc1nn(Cc2ccncc2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIKey: IFDMXJPLKXIKAP-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99572
Assay: SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860
Measurement: IC50 = 316.23 nM (pChEMBL 6.5)
Descriptors: MW 386.86, ALogP 3.59, HBA 4, HBD 1, PSA 59.81, QED 0.7
Compound (SMILES): Cc1cc(-n2nc(C)c(CC(=O)NCc3ccc(F)cc3Cl)c2C)nc(C)n1
InChIKey: GYSXSXWOROYAEH-UHFFFAOYSA-N
Target: P2X purinoceptor 7 (SINGLE PROTEIN), 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 401.87, ALogP 3.55, HBA 5, HBD 1, PSA 72.7, QED 0.71