lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CC(C)CC(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1ccccc1OCCO
InChIKey: PKCYVCPQLZYCSW-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 29 nM (pChEMBL 7.539999961853027)
Descriptors: MW 477.58, ALogP 4.67, HBA 6, HBD 1, PSA 83.91, QED 0.36
Compound (SMILES): COCCOc1ccccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1
InChIKey: LEYYWHQDHUHWIO-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 17 nM (pChEMBL 7.769999980926514)
Descriptors: MW 491.61, ALogP 5.33, HBA 6, HBD 0, PSA 72.91, QED 0.22
Compound (SMILES): COCc1ccccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1
InChIKey: ACJAHHCOANCIQB-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 461.58, ALogP 5.45, HBA 5, HBD 0, PSA 63.68, QED 0.33
Compound (SMILES): CN/C(=C1\C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1ccc[nH]c1=O)C(C)C
InChIKey: FKGCQWVQFNOEJO-VXPUYCOJSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 193 nM (pChEMBL 6.710000038146973)
Descriptors: MW 433.53, ALogP 3.89, HBA 5, HBD 2, PSA 82.27, QED 0.47
Compound (SMILES): COCc1ccccc1[C@H]1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1
InChIKey: WZEWWSYBFASMGA-WCSIJFPASA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 511 nM (pChEMBL 6.289999961853027)
Descriptors: MW 447.56, ALogP 5.06, HBA 5, HBD 0, PSA 63.68, QED 0.38
Compound (SMILES): COCc1ccccc1[C@@H]1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1
InChIKey: WZEWWSYBFASMGA-OZAIVSQSSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 447.56, ALogP 5.06, HBA 5, HBD 0, PSA 63.68, QED 0.38
Compound (SMILES): Cc1cc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3OCCO)cc2)cs1
InChIKey: DJSMZYNCBRZCDS-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 23 nM (pChEMBL 7.639999866485596)
Descriptors: MW 477.58, ALogP 4.59, HBA 6, HBD 1, PSA 83.91, QED 0.38
Compound (SMILES): COc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1
InChIKey: CQYHDKFNIFHGOD-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 37 nM (pChEMBL 7.429999828338623)
Descriptors: MW 447.56, ALogP 5.23, HBA 5, HBD 0, PSA 63.68, QED 0.38
Compound (SMILES): Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3OCCO)cc2)s1
InChIKey: RILDIIWENFCDDH-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 24 nM (pChEMBL 7.619999885559082)
Descriptors: MW 477.58, ALogP 4.59, HBA 6, HBD 1, PSA 83.91, QED 0.38
Compound (SMILES): COc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1
InChIKey: PRPFLIWKSDTARP-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 30 nM (pChEMBL 7.519999980926514)
Descriptors: MW 447.56, ALogP 5.23, HBA 5, HBD 0, PSA 63.68, QED 0.38
Compound (SMILES): CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1cccnc1Cl
InChIKey: NTSDKOUHWRNOTR-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 331 nM (pChEMBL 6.480000019073486)
Descriptors: MW 438.94, ALogP 4.96, HBA 5, HBD 0, PSA 67.34, QED 0.32
Compound (SMILES): COCCOc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1
InChIKey: DCCGJJCZANZDDX-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 19 nM (pChEMBL 7.71999979019165)
Descriptors: MW 491.61, ALogP 5.25, HBA 6, HBD 0, PSA 72.91, QED 0.23
Compound (SMILES): COCOc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1
InChIKey: CRVYULYXUIGIRL-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 16 nM (pChEMBL 7.800000190734863)
Descriptors: MW 477.58, ALogP 5.2, HBA 6, HBD 0, PSA 72.91, QED 0.25
Compound (SMILES): COCCOc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1
InChIKey: MJLQIYJLZJBNBG-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 491.61, ALogP 5.25, HBA 6, HBD 0, PSA 72.91, QED 0.23
Compound (SMILES): COCOc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1
InChIKey: GUQCQIPKTJDPNA-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 477.58, ALogP 5.2, HBA 6, HBD 0, PSA 72.91, QED 0.25
Compound (SMILES): COCc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1
InChIKey: QCJAWEIJBAFKJA-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 28 nM (pChEMBL 7.550000190734863)
Descriptors: MW 461.58, ALogP 5.37, HBA 5, HBD 0, PSA 63.68, QED 0.35
Compound (SMILES): COCc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1
InChIKey: BYRMHEMRSOPNRI-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 25 nM (pChEMBL 7.599999904632568)
Descriptors: MW 461.58, ALogP 5.37, HBA 5, HBD 0, PSA 63.68, QED 0.35
Compound (SMILES): COCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1
InChIKey: QIXPGMREOHTNEW-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 492.6, ALogP 4.64, HBA 7, HBD 0, PSA 85.8, QED 0.25
Compound (SMILES): COCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1
InChIKey: WUTNHXSNUCPUJD-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 32 nM (pChEMBL 7.5)
Descriptors: MW 492.6, ALogP 4.64, HBA 7, HBD 0, PSA 85.8, QED 0.25
Compound (SMILES): COc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc2sccc2c1
InChIKey: WXLKBHGQJVVUQB-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 347 nM (pChEMBL 6.460000038146973)
Descriptors: MW 407.49, ALogP 4.41, HBA 5, HBD 0, PSA 63.68, QED 0.46
Compound (SMILES): COCCOc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2nc(C)no2)cc1
InChIKey: OUPOYMKHCZTLMC-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 542 nM (pChEMBL 6.269999980926514)
Descriptors: MW 477.52, ALogP 3.57, HBA 8, HBD 0, PSA 111.83, QED 0.26
Compound (SMILES): COCCOc1ccccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2nc(C)no2)cc1
InChIKey: FJLRYXQRAOORHB-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 491 nM (pChEMBL 6.309999942779541)
Descriptors: MW 491.54, ALogP 3.96, HBA 8, HBD 0, PSA 111.83, QED 0.24
Compound (SMILES): COCCOc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1
InChIKey: YJTJIPKOZASRDW-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 172 nM (pChEMBL 6.760000228881836)
Descriptors: MW 477.52, ALogP 3.57, HBA 8, HBD 0, PSA 111.83, QED 0.26
Compound (SMILES): COCCOc1ccccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1
InChIKey: ZNDBQPOMHLTOLM-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 117 nM (pChEMBL 6.929999828338623)
Descriptors: MW 491.54, ALogP 3.96, HBA 8, HBD 0, PSA 111.83, QED 0.24
Compound (SMILES): Cc1nc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3OCCO)cc2)no1
InChIKey: UBYAYHAIOGZLSH-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 342 nM (pChEMBL 6.46999979019165)
Descriptors: MW 463.49, ALogP 2.91, HBA 8, HBD 1, PSA 122.83, QED 0.4
Compound (SMILES): Cc1nc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3ccccc3OCCO)cc2)no1
InChIKey: JMKPOZKTQXTSHP-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 366 nM (pChEMBL 6.440000057220459)
Descriptors: MW 477.52, ALogP 3.3, HBA 8, HBD 1, PSA 122.83, QED 0.37
Compound (SMILES): COc1ccccc1[C@@H]1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1
InChIKey: QYDKUBONZZJGAP-XMMISQBUSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 16 nM (pChEMBL 7.800000190734863)
Descriptors: MW 447.56, ALogP 5.31, HBA 5, HBD 0, PSA 63.68, QED 0.36
Compound (SMILES): COc1ccccc1[C@H]1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1
InChIKey: QYDKUBONZZJGAP-CGAIIQECSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 477 nM (pChEMBL 6.320000171661377)
Descriptors: MW 447.56, ALogP 5.31, HBA 5, HBD 0, PSA 63.68, QED 0.36
Compound (SMILES): COCc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(I)cc1
InChIKey: VFQDZWVJUSDRCA-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 637 nM (pChEMBL 6.199999809265137)
Descriptors: MW 491.33, ALogP 3.94, HBA 4, HBD 0, PSA 63.68, QED 0.35
Compound (SMILES): COCc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccccc2)cc1
InChIKey: DADQYROIESRPBD-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 472 nM (pChEMBL 6.329999923706055)
Descriptors: MW 441.53, ALogP 5, HBA 4, HBD 0, PSA 63.68, QED 0.38
Compound (SMILES): COCc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccccc2)s1
InChIKey: RSXZUNOQHINBDN-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 144 nM (pChEMBL 6.840000152587891)
Descriptors: MW 447.56, ALogP 5.06, HBA 5, HBD 0, PSA 63.68, QED 0.38
Compound (SMILES): COc1cccc(C2C(C(=O)C(C)C)C(=O)C(=O)N2c2ccc(-c3ccsc3)cc2)c1
InChIKey: QLEPVKCHWYTPJD-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 300 nM (pChEMBL 6.519999980926514)
Descriptors: MW 433.53, ALogP 4.92, HBA 5, HBD 0, PSA 63.68, QED 0.41
Compound (SMILES): COc1ccc(C2C(C(=O)C(C)C)C(=O)C(=O)N2c2ccc(-c3ccsc3)cc2)cc1
InChIKey: BGWBZUWZCXUUHA-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 648 nM (pChEMBL 6.190000057220459)
Descriptors: MW 433.53, ALogP 4.92, HBA 5, HBD 0, PSA 63.68, QED 0.41
Compound (SMILES): COCCOc1cccc(C2C(C(=O)C(C)C)C(=O)C(=O)N2c2ccc(-c3ccsc3)cc2)c1
InChIKey: ULNZWHVBUKPXHJ-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 669 nM (pChEMBL 6.170000076293945)
Descriptors: MW 477.58, ALogP 4.94, HBA 6, HBD 0, PSA 72.91, QED 0.25
Compound (SMILES): COc1ccc(C(=O)C2C(=O)C(=O)N(c3ccc(-c4ccsc4)cc3)C2C2COC(C)(C)OC2)cn1
InChIKey: FCBODLDICMEZSC-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 36 nM (pChEMBL 7.440000057220459)
Descriptors: MW 506.58, ALogP 4, HBA 8, HBD 0, PSA 95.03, QED 0.28
Compound (SMILES): CC(C)CC(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1ccccc1OC(F)F
InChIKey: ILEFDXPWDVJTRY-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 51 nM (pChEMBL 7.289999961853027)
Descriptors: MW 483.54, ALogP 5.9, HBA 5, HBD 0, PSA 63.68, QED 0.3
Compound (SMILES): COc1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1
InChIKey: ZITZWZONMAWZEL-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 130 nM (pChEMBL 6.889999866485596)
Descriptors: MW 448.54, ALogP 4.71, HBA 6, HBD 0, PSA 76.57, QED 0.39
Compound (SMILES): CC(C)CC(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1ccccc1C(F)(F)F
InChIKey: AFXQVJKNVUXVFH-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 127 nM (pChEMBL 6.900000095367432)
Descriptors: MW 485.53, ALogP 6.32, HBA 4, HBD 0, PSA 54.45, QED 0.3
Compound (SMILES): CC(C)CC(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1ccccc1OC(C)C
InChIKey: UPSNYTPRJDPUSK-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 475.61, ALogP 6.09, HBA 5, HBD 0, PSA 63.68, QED 0.29
Compound (SMILES): CC(C)Oc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1
InChIKey: PVPQMQZFOAZKLA-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 54 nM (pChEMBL 7.269999980926514)
Descriptors: MW 446.5, ALogP 4.63, HBA 6, HBD 0, PSA 89.71, QED 0.39
Compound (SMILES): CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)C1c1ccccc1OC(F)F
InChIKey: RVXCJHVXGTUSRS-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 244 nM (pChEMBL 6.610000133514404)
Descriptors: MW 454.43, ALogP 4.44, HBA 6, HBD 0, PSA 89.71, QED 0.39
Compound (SMILES): CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)C1c1ccccc1OC(F)(F)F
InChIKey: ZUVDHEZQTNDKFX-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 220 nM (pChEMBL 6.659999847412109)
Descriptors: MW 472.42, ALogP 4.74, HBA 6, HBD 0, PSA 89.71, QED 0.38
Compound (SMILES): COCCOc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1
InChIKey: PNGWRFAKPYKBPW-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 269 nM (pChEMBL 6.570000171661377)
Descriptors: MW 462.5, ALogP 3.87, HBA 7, HBD 0, PSA 98.94, QED 0.27
Compound (SMILES): CC(C)Oc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1
InChIKey: VJANXHHZFWWTEA-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 461.58, ALogP 5.7, HBA 5, HBD 0, PSA 63.68, QED 0.33
Compound (SMILES): CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1ccccc1C(F)(F)F
InChIKey: ZLNUBSPPOVPZQU-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 114 nM (pChEMBL 6.940000057220459)
Descriptors: MW 471.5, ALogP 5.93, HBA 4, HBD 0, PSA 54.45, QED 0.34
Compound (SMILES): CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1ccccc1OC(F)F
InChIKey: ZXHZLNGNLJWJTF-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 18 nM (pChEMBL 7.75)
Descriptors: MW 469.51, ALogP 5.51, HBA 5, HBD 0, PSA 63.68, QED 0.34
Compound (SMILES): CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1ccccc1OC(F)(F)F
InChIKey: KXOGMYDFQLRQOS-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 34 nM (pChEMBL 7.46999979019165)
Descriptors: MW 487.5, ALogP 5.81, HBA 5, HBD 0, PSA 63.68, QED 0.33
Compound (SMILES): COCc1ccccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1
InChIKey: YFKHUGFJDPJSKI-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 31 nM (pChEMBL 7.510000228881836)
Descriptors: MW 475.61, ALogP 5.76, HBA 5, HBD 0, PSA 63.68, QED 0.31
Compound (SMILES): COCCOc1ccccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1
InChIKey: HKHJBNPXHHONJN-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 21 nM (pChEMBL 7.679999828338623)
Descriptors: MW 505.64, ALogP 5.64, HBA 6, HBD 0, PSA 72.91, QED 0.2
Compound (SMILES): COCOc1ccccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1
InChIKey: CLBVDCWGAYSOBN-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 20 nM (pChEMBL 7.699999809265137)
Descriptors: MW 491.61, ALogP 5.59, HBA 6, HBD 0, PSA 72.91, QED 0.22
Compound (SMILES): CC(C)CC(=O)C1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)C1c1ccccc1OC(C)C
InChIKey: VFWANLNSRLCXMF-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 54 nM (pChEMBL 7.269999980926514)
Descriptors: MW 460.53, ALogP 5.02, HBA 6, HBD 0, PSA 89.71, QED 0.35
Compound (SMILES): CC(C)CC(=O)C1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)C1c1ccccc1OC(F)F
InChIKey: CQGTYPCRESGDRZ-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 158 nM (pChEMBL 6.800000190734863)
Descriptors: MW 468.46, ALogP 4.83, HBA 6, HBD 0, PSA 89.71, QED 0.35
Compound (SMILES): CC(C)CC(=O)C1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)C1c1ccccc1OC(F)(F)F
InChIKey: ZNTYKWOMPCWELZ-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 193 nM (pChEMBL 6.710000038146973)
Descriptors: MW 486.45, ALogP 5.13, HBA 6, HBD 0, PSA 89.71, QED 0.34
Compound (SMILES): COCCOc1ccccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1
InChIKey: XDZLGYYPNGLJMM-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 182 nM (pChEMBL 6.739999771118164)
Descriptors: MW 476.53, ALogP 4.26, HBA 7, HBD 0, PSA 98.94, QED 0.24
Compound (SMILES): COCc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1
InChIKey: ZCAWJZZMAJUESN-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 337 nM (pChEMBL 6.46999979019165)
Descriptors: MW 447.49, ALogP 3.69, HBA 7, HBD 0, PSA 102.6, QED 0.4
Compound (SMILES): COCOc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1
InChIKey: ZPAPOHDKKRFTJL-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 121 nM (pChEMBL 6.920000076293945)
Descriptors: MW 463.49, ALogP 3.53, HBA 8, HBD 0, PSA 111.83, QED 0.28
Compound (SMILES): Cc1nc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3OC(C)C)cc2)no1
InChIKey: PRVMAFALULOHPT-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 54 nM (pChEMBL 7.269999980926514)
Descriptors: MW 461.52, ALogP 4.33, HBA 7, HBD 0, PSA 102.6, QED 0.38
Compound (SMILES): Cc1nc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3OC(F)F)cc2)no1
InChIKey: NPRVBUVVFYCWEC-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 320 nM (pChEMBL 6.5)
Descriptors: MW 469.44, ALogP 4.14, HBA 7, HBD 0, PSA 102.6, QED 0.38
Compound (SMILES): Cc1nc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3OC(F)(F)F)cc2)no1
InChIKey: OKGLRRWUCOZLDR-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 329 nM (pChEMBL 6.480000019073486)
Descriptors: MW 487.43, ALogP 4.44, HBA 7, HBD 0, PSA 102.6, QED 0.37
Compound (SMILES): COCc1ccccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1
InChIKey: IVUPFFCTUPRPRN-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 252 nM (pChEMBL 6.599999904632568)
Descriptors: MW 461.52, ALogP 4.08, HBA 7, HBD 0, PSA 102.6, QED 0.37
Compound (SMILES): COCOc1ccccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1
InChIKey: PYCXSWQKCWSRJO-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 130 nM (pChEMBL 6.889999866485596)
Descriptors: MW 477.52, ALogP 3.92, HBA 8, HBD 0, PSA 111.83, QED 0.26
Compound (SMILES): Cc1nc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3ccccc3OC(C)C)cc2)no1
InChIKey: VYMDLLSRYYGWOI-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 73 nM (pChEMBL 7.139999866485596)
Descriptors: MW 475.55, ALogP 4.72, HBA 7, HBD 0, PSA 102.6, QED 0.34
Compound (SMILES): Cc1nc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3ccccc3OC(F)F)cc2)no1
InChIKey: RMOFAQKRCLUTJW-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 328 nM (pChEMBL 6.480000019073486)
Descriptors: MW 483.47, ALogP 4.53, HBA 7, HBD 0, PSA 102.6, QED 0.34
Compound (SMILES): Cc1nc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3ccccc3OC(F)(F)F)cc2)no1
InChIKey: KXGCWBISJYTUDF-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 222 nM (pChEMBL 6.650000095367432)
Descriptors: MW 501.46, ALogP 4.83, HBA 7, HBD 0, PSA 102.6, QED 0.34
Compound (SMILES): COc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1
InChIKey: JMKFIYHFYVINGZ-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 274 nM (pChEMBL 6.559999942779541)
Descriptors: MW 448.54, ALogP 4.63, HBA 6, HBD 0, PSA 76.57, QED 0.41
Compound (SMILES): Cc1cc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3OC(F)F)cc2)cs1
InChIKey: HMPFXWFMYOPZKQ-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 70 nM (pChEMBL 7.159999847412109)
Descriptors: MW 483.54, ALogP 5.82, HBA 5, HBD 0, PSA 63.68, QED 0.31
Compound (SMILES): Cc1cc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3OC(F)(F)F)cc2)cs1
InChIKey: AGQIFRRDOLHEFN-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 102 nM (pChEMBL 6.989999771118164)
Descriptors: MW 501.53, ALogP 6.12, HBA 5, HBD 0, PSA 63.68, QED 0.3
Compound (SMILES): CC(C)CC(=O)C1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)C1c1ccccc1OCCO
InChIKey: RTEFHYFCPZKXAZ-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 310 nM (pChEMBL 6.510000228881836)
Descriptors: MW 462.5, ALogP 3.6, HBA 7, HBD 1, PSA 109.94, QED 0.38
Compound (SMILES): COCc1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1
InChIKey: XUBWTKXRLKFZEM-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 109 nM (pChEMBL 6.960000038146973)
Descriptors: MW 462.57, ALogP 4.84, HBA 6, HBD 0, PSA 76.57, QED 0.35
Compound (SMILES): COc1cc(F)ccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1
InChIKey: GIWSWILVYLQLQK-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 18 nM (pChEMBL 7.75)
Descriptors: MW 451.52, ALogP 5.06, HBA 5, HBD 0, PSA 63.68, QED 0.39
Compound (SMILES): COc1cc(F)ccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1
InChIKey: IVVXMIYXZWBHLE-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 27 nM (pChEMBL 7.570000171661377)
Descriptors: MW 465.55, ALogP 5.45, HBA 5, HBD 0, PSA 63.68, QED 0.34
Compound (SMILES): COc1ccccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1
InChIKey: ZARBBPVJSASOHM-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 93 nM (pChEMBL 7.03000020980835)
Descriptors: MW 461.58, ALogP 5.62, HBA 5, HBD 0, PSA 63.68, QED 0.34
Compound (SMILES): Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3ccccc3OCCO)cc2)s1
InChIKey: BZCSSUZSKULUBX-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 65 nM (pChEMBL 7.190000057220459)
Descriptors: MW 491.61, ALogP 4.98, HBA 6, HBD 1, PSA 83.91, QED 0.34
Compound (SMILES): COC1=C(C(=O)CC(C)C)C(c2ccccc2OC)N(c2ccc(-c3ccc(C)s3)cc2)C1=O
InChIKey: MTUCAQBDKAYILG-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 578 nM (pChEMBL 6.239999771118164)
Descriptors: MW 475.61, ALogP 6.34, HBA 5, HBD 0, PSA 55.84, QED 0.38
Compound (SMILES): CC(C)CC(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1ccccc1OC(F)(F)F
InChIKey: WSHDHVOHIMZCSW-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 70 nM (pChEMBL 7.159999847412109)
Descriptors: MW 501.53, ALogP 6.2, HBA 5, HBD 0, PSA 63.68, QED 0.29
Compound (SMILES): COc1ccc(CC(=O)C2C(=O)C(=O)N(c3ccc(-c4noc(C)n4)cc3)C2C2CCCCC2)cc1
InChIKey: GHMLGCILUJTECF-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 722 nM (pChEMBL 6.139999866485596)
Descriptors: MW 487.56, ALogP 4.35, HBA 7, HBD 0, PSA 102.6, QED 0.36
Compound (SMILES): COc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1
InChIKey: NTSOSZQJPXPQHI-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 281 nM (pChEMBL 6.550000190734863)
Descriptors: MW 448.54, ALogP 4.63, HBA 6, HBD 0, PSA 76.57, QED 0.41
Compound (SMILES): Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3OC(F)F)cc2)s1
InChIKey: IJNVFEOYCKBHGT-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 58 nM (pChEMBL 7.239999771118164)
Descriptors: MW 483.54, ALogP 5.82, HBA 5, HBD 0, PSA 63.68, QED 0.31
Compound (SMILES): Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3OC(F)(F)F)cc2)s1
InChIKey: DZRXXQCKCNGFIH-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 78 nM (pChEMBL 7.110000133514404)
Descriptors: MW 501.53, ALogP 6.12, HBA 5, HBD 0, PSA 63.68, QED 0.3
Compound (SMILES): COc1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1
InChIKey: VGIFRMRRHOVYJQ-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 351 nM (pChEMBL 6.460000038146973)
Descriptors: MW 462.57, ALogP 5.02, HBA 6, HBD 0, PSA 76.57, QED 0.36
Compound (SMILES): Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3ccccc3OC(F)F)cc2)s1
InChIKey: HDBAFTRXEFAHQL-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 103 nM (pChEMBL 6.989999771118164)
Descriptors: MW 497.56, ALogP 6.21, HBA 5, HBD 0, PSA 63.68, QED 0.27
Compound (SMILES): Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3ccccc3OC(F)(F)F)cc2)s1
InChIKey: HDZGIVMLLWKRII-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 147 nM (pChEMBL 6.829999923706055)
Descriptors: MW 515.55, ALogP 6.51, HBA 5, HBD 0, PSA 63.68, QED 0.27
Compound (SMILES): COc1ccccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2cc(C)no2)cc1
InChIKey: YQAFMSIZNYISEV-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 892 nM (pChEMBL 6.050000190734863)
Descriptors: MW 446.5, ALogP 4.55, HBA 6, HBD 0, PSA 89.71, QED 0.39
Compound (SMILES): COc1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1
InChIKey: QCWKXUNELBCBBI-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 336 nM (pChEMBL 6.46999979019165)
Descriptors: MW 432.48, ALogP 4.24, HBA 6, HBD 0, PSA 89.71, QED 0.41
Compound (SMILES): Cc1cc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3ccccc3OC(F)F)cc2)on1
InChIKey: JIGWPBMBWOWQER-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 508 nM (pChEMBL 6.289999961853027)
Descriptors: MW 482.48, ALogP 5.14, HBA 6, HBD 0, PSA 89.71, QED 0.33
Compound (SMILES): CC(C)CC(=O)C1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)C1c1ccccc1OC(F)F
InChIKey: OIUWXXOCDKIPFB-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 67 nM (pChEMBL 7.170000076293945)
Descriptors: MW 467.47, ALogP 5.44, HBA 5, HBD 0, PSA 76.82, QED 0.33
Compound (SMILES): CC(C)CC(=O)C1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)C1c1ccccc1OC(F)(F)F
InChIKey: STSKMHXQSZSFGY-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 78 nM (pChEMBL 7.110000133514404)
Descriptors: MW 485.46, ALogP 5.73, HBA 5, HBD 0, PSA 76.82, QED 0.32
Compound (SMILES): Cc1cc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3ccccc3OC(F)(F)F)cc2)on1
InChIKey: VMCGWPHGXNFOMY-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 594 nM (pChEMBL 6.230000019073486)
Descriptors: MW 500.47, ALogP 5.44, HBA 6, HBD 0, PSA 89.71, QED 0.32
Compound (SMILES): Cc1cc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3ccccc3OCCO)cc2)on1
InChIKey: CPDCUEDAFHIEAT-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 999 nM (pChEMBL 6)
Descriptors: MW 476.53, ALogP 3.91, HBA 7, HBD 1, PSA 109.94, QED 0.37
Compound (SMILES): COCCOc1ccccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2cc(C)no2)cc1
InChIKey: NIDGMTMZMPZFNW-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 677 nM (pChEMBL 6.170000076293945)
Descriptors: MW 490.56, ALogP 4.56, HBA 7, HBD 0, PSA 98.94, QED 0.23
Compound (SMILES): CCOc1ccccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1
InChIKey: HOUBYRVMHAMDRQ-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 47 nM (pChEMBL 7.329999923706055)
Descriptors: MW 445.52, ALogP 5.23, HBA 5, HBD 0, PSA 76.82, QED 0.35
Compound (SMILES): COCCOc1ccccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1
InChIKey: IGGOEYVXTBAWRY-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 55 nM (pChEMBL 7.260000228881836)
Descriptors: MW 475.54, ALogP 4.86, HBA 6, HBD 0, PSA 86.05, QED 0.24
Compound (SMILES): COCOc1ccccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1
InChIKey: WPIBEZVPOZWYSQ-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 37 nM (pChEMBL 7.429999828338623)
Descriptors: MW 461.51, ALogP 4.82, HBA 6, HBD 0, PSA 86.05, QED 0.26
Compound (SMILES): CC(C)CC(=O)C1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)C1c1ccccc1OCCO
InChIKey: YSFKDHXDCZEENM-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 66 nM (pChEMBL 7.179999828338623)
Descriptors: MW 461.51, ALogP 4.21, HBA 6, HBD 1, PSA 97.05, QED 0.38
Compound (SMILES): COc1ccccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1
InChIKey: PAHNLOXMQJPRCI-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 101 nM (pChEMBL 7)
Descriptors: MW 431.49, ALogP 4.84, HBA 5, HBD 0, PSA 76.82, QED 0.4
Compound (SMILES): COCc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc2c(c1)cc(C)n2C
InChIKey: RVTIOLYHVOWRLI-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 210 nM (pChEMBL 6.679999828338623)
Descriptors: MW 432.52, ALogP 4.13, HBA 5, HBD 0, PSA 68.61, QED 0.43
Compound (SMILES): COCc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1
InChIKey: NMGZEVLLASUZIY-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 57 nM (pChEMBL 7.239999771118164)
Descriptors: MW 431.49, ALogP 4.59, HBA 5, HBD 0, PSA 76.82, QED 0.4
Compound (SMILES): COCc1ccccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1
InChIKey: CEUQNZWTQYQJKT-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 44 nM (pChEMBL 7.360000133514404)
Descriptors: MW 445.52, ALogP 4.98, HBA 5, HBD 0, PSA 76.82, QED 0.36
Compound (SMILES): COCc1ccccc1[C@@H]1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1
InChIKey: ACJAHHCOANCIQB-WUBHUQEYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 7 nM (pChEMBL 8.149999618530273)
Descriptors: MW 461.58, ALogP 5.45, HBA 5, HBD 0, PSA 63.68, QED 0.33
Compound (SMILES): COCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1
InChIKey: RHNRIPQNWYXXNY-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 20 nM (pChEMBL 7.699999809265137)
Descriptors: MW 476.53, ALogP 4.17, HBA 7, HBD 0, PSA 98.94, QED 0.26
Compound (SMILES): Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3OC(F)F)cc2)o1
InChIKey: JSSVAFDYCITTLC-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 25 nM (pChEMBL 7.599999904632568)
Descriptors: MW 467.47, ALogP 5.35, HBA 5, HBD 0, PSA 76.82, QED 0.35
Compound (SMILES): Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3OC(F)(F)F)cc2)o1
InChIKey: DJBCEZOWCZXMMC-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 24 nM (pChEMBL 7.619999885559082)
Descriptors: MW 485.46, ALogP 5.65, HBA 5, HBD 0, PSA 76.82, QED 0.33
Compound (SMILES): COCCOc1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1
InChIKey: PNQPHJREMQOXLL-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 21 nM (pChEMBL 7.679999828338623)
Descriptors: MW 490.56, ALogP 4.56, HBA 7, HBD 0, PSA 98.94, QED 0.23
Compound (SMILES): Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3ccccc3OC(F)F)cc2)o1
InChIKey: WYIMYGDMIGRXKW-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 48 nM (pChEMBL 7.320000171661377)
Descriptors: MW 481.5, ALogP 5.74, HBA 5, HBD 0, PSA 76.82, QED 0.3
Compound (SMILES): Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3ccccc3OC(F)(F)F)cc2)o1
InChIKey: XCWOMIIGQAFJDG-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 40 nM (pChEMBL 7.400000095367432)
Descriptors: MW 499.49, ALogP 6.04, HBA 5, HBD 0, PSA 76.82, QED 0.29
Compound (SMILES): COCCOc1cc(F)ccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1
InChIKey: DBNGAYHDISVOOK-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 7 nM (pChEMBL 8.149999618530273)
Descriptors: MW 495.57, ALogP 5.08, HBA 6, HBD 0, PSA 72.91, QED 0.24
Compound (SMILES): COCCOc1cc(F)ccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1
InChIKey: MFHBGVIYHUPDMO-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 9 nM (pChEMBL 8.050000190734863)
Descriptors: MW 509.6, ALogP 5.47, HBA 6, HBD 0, PSA 72.91, QED 0.21
Compound (SMILES): COCCOc1cc(F)ccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1
InChIKey: ZTWFKPMOCOUFNQ-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 82 nM (pChEMBL 7.090000152587891)
Descriptors: MW 509.53, ALogP 4.1, HBA 8, HBD 0, PSA 111.83, QED 0.23
Compound (SMILES): CC(C)CC(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1ccccc1OCCCO
InChIKey: HBEHNHJYKUJRST-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 13 nM (pChEMBL 7.889999866485596)
Descriptors: MW 491.61, ALogP 5.06, HBA 6, HBD 1, PSA 83.91, QED 0.24
Compound (SMILES): COCCOc1cc(F)ccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1
InChIKey: LZQRURULKXKLSC-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 19 nM (pChEMBL 7.71999979019165)
Descriptors: MW 479.5, ALogP 4.61, HBA 6, HBD 0, PSA 86.05, QED 0.25
Compound (SMILES): COCCOc1cc(F)ccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1
InChIKey: LKHXABWGAXRVIH-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 16 nM (pChEMBL 7.800000190734863)
Descriptors: MW 493.53, ALogP 5, HBA 6, HBD 0, PSA 86.05, QED 0.22
Compound (SMILES): COCCOc1cc(F)ccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1
InChIKey: VOIPWCSYFDMQRG-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 91 nM (pChEMBL 7.039999961853027)
Descriptors: MW 495.51, ALogP 3.71, HBA 8, HBD 0, PSA 111.83, QED 0.25
Compound (SMILES): Cc1cc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3ccccc3OC(C)C)cc2)on1
InChIKey: SUYMCBLTTLJKJN-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 194 nM (pChEMBL 6.710000038146973)
Descriptors: MW 474.56, ALogP 5.33, HBA 6, HBD 0, PSA 89.71, QED 0.32
Compound (SMILES): COc1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1
InChIKey: AMGBRGBAMNFBDL-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 447 nM (pChEMBL 6.349999904632568)
Descriptors: MW 462.57, ALogP 5.02, HBA 6, HBD 0, PSA 76.57, QED 0.36
Compound (SMILES): COCOc1ccccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1
InChIKey: VGDPZYSPNLNGRA-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 35 nM (pChEMBL 7.460000038146973)
Descriptors: MW 491.61, ALogP 5.59, HBA 6, HBD 0, PSA 72.91, QED 0.22