lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3cccnc3OC(C)C)cc2)o1
InChIKey: YGLUIKASCANTOX-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 460.53, ALogP 4.94, HBA 6, HBD 0, PSA 89.71, QED 0.37
Compound (SMILES): COc1ccc(C(=O)C2C(=O)C(=O)N(c3ccc(-c4cc(C)on4)cc3)C2c2ccccc2OC)cc1
InChIKey: YWKQDCWUSYLIBF-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 = 42 nM (pChEMBL 7.380000114440918)
Descriptors: MW 496.52, ALogP 4.82, HBA 7, HBD 0, PSA 98.94, QED 0.21
Compound (SMILES): COCCOc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cc(C)on2)cc1
InChIKey: QTJOJPURCJCXBX-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 = 378 nM (pChEMBL 6.420000076293945)
Descriptors: MW 476.53, ALogP 4.17, HBA 7, HBD 0, PSA 98.94, QED 0.26
Compound (SMILES): O=C1C(=O)N(c2ccc(-c3ccon3)cc2)C(C2CCCCC2)C1S(=O)(=O)c1ccccc1
InChIKey: BUKRPEXAGIAUJK-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 = 333 nM (pChEMBL 6.480000019073486)
Descriptors: MW 464.54, ALogP 4.05, HBA 6, HBD 0, PSA 97.55, QED 0.53
Compound (SMILES): Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3cccnc3OCCO)cc2)o1
InChIKey: BMKKRIGAYCXIHA-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 = 89 nM (pChEMBL 7.050000190734863)
Descriptors: MW 462.5, ALogP 3.52, HBA 7, HBD 1, PSA 109.94, QED 0.4
Compound (SMILES): COCCCOc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(SC)cc1
InChIKey: WWDCINWWJYRJFZ-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 455.58, ALogP 4.32, HBA 6, HBD 0, PSA 72.91, QED 0.23
Compound (SMILES): COCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(SC)cc1
InChIKey: VVUKDICEGXZZHS-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 = 218 nM (pChEMBL 6.659999847412109)
Descriptors: MW 442.54, ALogP 3.33, HBA 7, HBD 0, PSA 85.8, QED 0.25
Compound (SMILES): Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3N3CCOCC3)cc2)o1
InChIKey: ASXIHKMIYBGFTI-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 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 486.57, ALogP 4.59, HBA 6, HBD 0, PSA 80.06, QED 0.37
Compound (SMILES): Cc1nc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3N3CCOCC3)cc2)no1
InChIKey: TXJZZCKBGCTMFI-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 = 167 nM (pChEMBL 6.78000020980835)
Descriptors: MW 488.54, ALogP 3.38, HBA 8, HBD 0, PSA 105.84, QED 0.38
Compound (SMILES): Cc1nc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3ccccc3N3CCOCC3)cc2)no1
InChIKey: MKEQDRVBAFRSIA-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 502.57, ALogP 3.77, HBA 8, HBD 0, PSA 105.84, QED 0.36
Compound (SMILES): COCCCOc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1
InChIKey: BXKANXOXPFKQIB-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 = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 491.61, ALogP 5.33, HBA 6, HBD 0, PSA 72.91, QED 0.22
Compound (SMILES): COCCCOc1ccccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1
InChIKey: MQKYJLVLBNNQHJ-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 505.64, ALogP 5.72, HBA 6, HBD 0, PSA 72.91, QED 0.19
Compound (SMILES): COCCCOc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1
InChIKey: OAYMYCUDILBVKA-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 = 155 nM (pChEMBL 6.809999942779541)
Descriptors: MW 491.54, ALogP 3.96, HBA 8, HBD 0, PSA 111.83, QED 0.24
Compound (SMILES): COCCCOc1ccccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1
InChIKey: MASDIXIQUWEPRS-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 = 104 nM (pChEMBL 6.980000019073486)
Descriptors: MW 505.57, ALogP 4.35, HBA 8, HBD 0, PSA 111.83, QED 0.21
Compound (SMILES): Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3CC(=O)N(C)C)cc2)o1
InChIKey: XKPPCNRXBMEQOW-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 = 105 nM (pChEMBL 6.980000019073486)
Descriptors: MW 486.57, ALogP 4.38, HBA 5, HBD 0, PSA 87.9, QED 0.37
Compound (SMILES): CCN(C)C(=O)c1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1
InChIKey: LDGPBAOTRNHWPT-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 = 53 nM (pChEMBL 7.28000020980835)
Descriptors: MW 502.64, ALogP 5.31, HBA 5, HBD 0, PSA 74.76, QED 0.32
Compound (SMILES): CCN(C)C(=O)c1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1
InChIKey: IJYGZJSTHYLUHS-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 = 59 nM (pChEMBL 7.230000019073486)
Descriptors: MW 486.57, ALogP 4.85, HBA 5, HBD 0, PSA 87.9, QED 0.35
Compound (SMILES): COCCN(C)C(=O)c1ccccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1
InChIKey: UVPMJLLOTIRJPA-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 530.62, ALogP 4.86, HBA 6, HBD 0, PSA 97.13, QED 0.27
Compound (SMILES): COCCN(C)C(=O)c1ccccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1
InChIKey: UASMMMRYYVQTHF-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 546.69, ALogP 5.33, HBA 6, HBD 0, PSA 83.99, QED 0.25
Compound (SMILES): CC(C)CC(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1ccccc1OCC(CO)CO
InChIKey: BQVNRSZEHRLEDC-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 521.64, ALogP 4.28, HBA 7, HBD 2, PSA 104.14, QED 0.29
Compound (SMILES): Cc1nc(-c2ccc(N3C(=O)C(=O)C(S(=O)(=O)c4ccccc4)C3C3CCCCC3)cc2)no1
InChIKey: XZKAXMFBAOMQCC-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 = 398 nM (pChEMBL 6.400000095367432)
Descriptors: MW 479.56, ALogP 3.75, HBA 7, HBD 0, PSA 110.44, QED 0.51
Compound (SMILES): Cc1cc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3OCC3OCCO3)cc2)cs1
InChIKey: AUAWYONOHHUUSF-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 519.62, ALogP 4.97, HBA 7, HBD 0, PSA 82.14, QED 0.31
Compound (SMILES): Cc1nc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3OCC3OCCO3)cc2)no1
InChIKey: BQPKHWXTNSWBQZ-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 = 52 nM (pChEMBL 7.28000020980835)
Descriptors: MW 505.53, ALogP 3.3, HBA 9, HBD 0, PSA 121.06, QED 0.34
Compound (SMILES): Cc1nc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3OC3CCOCC3)cc2)no1
InChIKey: DJPBURYKJXMQIH-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 503.56, ALogP 4.1, HBA 8, HBD 0, PSA 111.83, QED 0.35
Compound (SMILES): Cc1nc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3OC3CCCC3)cc2)no1
InChIKey: BLQPRQHUJGJTLV-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 487.56, ALogP 4.86, HBA 7, HBD 0, PSA 102.6, QED 0.35
Compound (SMILES): Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3cccnc3C(=O)OC(C)C)cc2)s1
InChIKey: NZRZNSFGOKNWKN-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 = 238 nM (pChEMBL 6.619999885559082)
Descriptors: MW 518.64, ALogP 5.57, HBA 7, HBD 0, PSA 93.64, QED 0.22
Compound (SMILES): Cc1cc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3ccccc3C(=O)N3CCOCC3)cc2)cs1
InChIKey: RQEOHLMIPYZKQS-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 = 168 nM (pChEMBL 6.78000020980835)
Descriptors: MW 544.67, ALogP 5.08, HBA 6, HBD 0, PSA 83.99, QED 0.31
Compound (SMILES): Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3ccccc3C(=O)N3CCOCC3)cc2)o1
InChIKey: RBQWCEFENLSKHJ-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 = 112 nM (pChEMBL 6.949999809265137)
Descriptors: MW 528.61, ALogP 4.62, HBA 6, HBD 0, PSA 97.13, QED 0.33
Compound (SMILES): Cc1cc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3S(C)(=O)=O)cc2)cs1
InChIKey: ORLNUMLQUNFTTB-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 495.62, ALogP 4.63, HBA 6, HBD 0, PSA 88.59, QED 0.37
Compound (SMILES): Cc1nc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3OCC#N)cc2)no1
InChIKey: PNBRABWYKVOMBZ-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 = 133 nM (pChEMBL 6.880000114440918)
Descriptors: MW 458.47, ALogP 3.45, HBA 8, HBD 0, PSA 126.39, QED 0.39
Compound (SMILES): CSc1ccc(N2C(=O)C(=O)C(C(=O)C(C)C)C2c2ccccc2OCC#N)cc1
InChIKey: VNGSJGGYWNBUGH-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 = 247 nM (pChEMBL 6.610000133514404)
Descriptors: MW 422.51, ALogP 3.81, HBA 6, HBD 0, PSA 87.47, QED 0.38
Compound (SMILES): Cc1nc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3ccccc3OCC#N)cc2)no1
InChIKey: OCGCVKJTAJIQDJ-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 = 174 nM (pChEMBL 6.760000228881836)
Descriptors: MW 472.5, ALogP 3.84, HBA 8, HBD 0, PSA 126.39, QED 0.36
Compound (SMILES): CSc1ccc(N2C(=O)C(=O)C(C(=O)CC(C)C)C2c2ccccc2OCC#N)cc1
InChIKey: NPXVGTAVYGRYGC-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 436.53, ALogP 4.2, HBA 6, HBD 0, PSA 87.47, QED 0.35
Compound (SMILES): CC(C)Oc1ccccc1C1C(C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1
InChIKey: RENLLWOITRALQN-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 = 62 nM (pChEMBL 7.210000038146973)
Descriptors: MW 472.54, ALogP 5.16, HBA 6, HBD 0, PSA 89.71, QED 0.35
Compound (SMILES): CC(C)COc1ccccc1C1C(C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1
InChIKey: OUIMQXYKCSCRCP-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 486.57, ALogP 5.41, HBA 6, HBD 0, PSA 89.71, QED 0.31
Compound (SMILES): CN(C)C(=O)c1ccccc1C1C(C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1
InChIKey: YOZXMYMVGJROFZ-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 = 138 nM (pChEMBL 6.860000133514404)
Descriptors: MW 500.62, ALogP 5.15, HBA 5, HBD 0, PSA 74.76, QED 0.35
Compound (SMILES): CCOc1ncccc1C1C(C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1
InChIKey: DRYACHHLTIRGMR-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 474.58, ALogP 5.24, HBA 6, HBD 0, PSA 76.57, QED 0.35
Compound (SMILES): COCc1ccccc1C1C(C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1
InChIKey: AQRAYRYLDPOBLZ-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 = 33 nM (pChEMBL 7.480000019073486)
Descriptors: MW 473.59, ALogP 5.59, HBA 5, HBD 0, PSA 63.68, QED 0.33
Compound (SMILES): COCCOc1ncccc1C1C(C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1
InChIKey: OJMDCDXZFRWSCX-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 = 26 nM (pChEMBL 7.579999923706055)
Descriptors: MW 504.61, ALogP 4.87, HBA 7, HBD 0, PSA 85.8, QED 0.23
Compound (SMILES): Cc1nc(-c2ccc(N3C(=O)C(=O)C(C(=O)C4CCCC4)C3c3ccccc3OC(C)C)cc2)no1
InChIKey: DWTYUMIFNLZGBU-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 = 87 nM (pChEMBL 7.059999942779541)
Descriptors: MW 487.56, ALogP 4.86, HBA 7, HBD 0, PSA 102.6, QED 0.35
Compound (SMILES): Cc1nc(-c2ccc(N3C(=O)C(=O)C(C(=O)C4CCCC4)C3c3ccccc3OCC(C)C)cc2)no1
InChIKey: YMQRKYQPAORLQK-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 = 33 nM (pChEMBL 7.480000019073486)
Descriptors: MW 501.58, ALogP 5.11, HBA 7, HBD 0, PSA 102.6, QED 0.31
Compound (SMILES): COCCOc1ncccc1C1C(C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1
InChIKey: CFUKEXXUXKVCLB-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 = 554 nM (pChEMBL 6.260000228881836)
Descriptors: MW 489.53, ALogP 3.79, HBA 8, HBD 0, PSA 111.83, QED 0.25
Compound (SMILES): COCCOc1ncccc1C1C(C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1
InChIKey: ILHBUXWHWVJBHQ-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 504.54, ALogP 3.5, HBA 9, HBD 0, PSA 124.72, QED 0.24
Compound (SMILES): Cc1nc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3cccnc3N3CCOCC3)cc2)no1
InChIKey: AJRRZUQYBDBDIC-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 = 696 nM (pChEMBL 6.159999847412109)
Descriptors: MW 489.53, ALogP 2.77, HBA 9, HBD 0, PSA 118.73, QED 0.38
Compound (SMILES): CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1cccnc1N1CCOCC1
InChIKey: COAXCSXMJAQMPD-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 489.6, ALogP 4.15, HBA 7, HBD 0, PSA 79.81, QED 0.38
Compound (SMILES): Cc1cc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3CC(=O)N3CCCC3)cc2)cs1
InChIKey: TZIMETHCTSAIIS-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 = 219 nM (pChEMBL 6.659999847412109)
Descriptors: MW 528.67, ALogP 5.39, HBA 5, HBD 0, PSA 74.76, QED 0.3
Compound (SMILES): COCc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(C2=CCCC2)cc1
InChIKey: UTNLYNKGTOGPGR-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 = 39 nM (pChEMBL 7.409999847412109)
Descriptors: MW 431.53, ALogP 4.9, HBA 4, HBD 0, PSA 63.68, QED 0.46
Compound (SMILES): COCc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(C2CCCC2)cc1
InChIKey: VURKUYDYGVBEPS-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 433.55, ALogP 4.99, HBA 4, HBD 0, PSA 63.68, QED 0.46
Compound (SMILES): CCNC(=O)c1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1
InChIKey: ZGCAJPUZVIVAHH-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 = 237 nM (pChEMBL 6.619999885559082)
Descriptors: MW 503.62, ALogP 4.76, HBA 6, HBD 1, PSA 96.44, QED 0.35
Compound (SMILES): COc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csnn2)cc1
InChIKey: WINOGBIGQXJWOP-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 = 286 nM (pChEMBL 6.539999961853027)
Descriptors: MW 435.51, ALogP 3.71, HBA 7, HBD 0, PSA 89.46, QED 0.43
Compound (SMILES): COCCOc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csnn2)cc1
InChIKey: FYGWOVLFPBULFM-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 = 204 nM (pChEMBL 6.690000057220459)
Descriptors: MW 479.56, ALogP 3.73, HBA 8, HBD 0, PSA 98.69, QED 0.26
Compound (SMILES): CC(C)Oc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csnn2)cc1
InChIKey: MSQUHKPPWOQHIT-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 = 33 nM (pChEMBL 7.480000019073486)
Descriptors: MW 463.56, ALogP 4.49, HBA 7, HBD 0, PSA 89.46, QED 0.38
Compound (SMILES): CNC(=O)CCc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1
InChIKey: FUCYCVHNNUTESR-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 = 49 nM (pChEMBL 7.309999942779541)
Descriptors: MW 486.57, ALogP 4.43, HBA 5, HBD 1, PSA 96.69, QED 0.38
Compound (SMILES): Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3CCC(N)=O)cc2)o1
InChIKey: GVNLZMCARKJTTK-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 472.54, ALogP 4.17, HBA 5, HBD 1, PSA 110.68, QED 0.39
Compound (SMILES): Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3CCC(=O)N(C)C)cc2)o1
InChIKey: RSGUGMKSZPUJSI-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 = 83 nM (pChEMBL 7.079999923706055)
Descriptors: MW 500.6, ALogP 4.77, HBA 5, HBD 0, PSA 87.9, QED 0.33
Compound (SMILES): Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3CCC(=O)NC(C)C)cc2)o1
InChIKey: UMPWSBHQMHQMDQ-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 = 119 nM (pChEMBL 6.920000076293945)
Descriptors: MW 514.62, ALogP 5.21, HBA 5, HBD 1, PSA 96.69, QED 0.31
Compound (SMILES): Cc1nc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3COC(C)C)cc2)no1
InChIKey: OJOVGEWECDWIGO-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 = 62 nM (pChEMBL 7.210000038146973)
Descriptors: MW 475.55, ALogP 4.47, HBA 7, HBD 0, PSA 102.6, QED 0.35
Compound (SMILES): CC(C)OCc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1
InChIKey: MKPZYSQTJQSPEH-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 = 496 nM (pChEMBL 6.300000190734863)
Descriptors: MW 460.53, ALogP 4.76, HBA 6, HBD 0, PSA 89.71, QED 0.36
Compound (SMILES): CC(C)OCc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1
InChIKey: JUYZNRQKXUURIN-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 475.61, ALogP 5.84, HBA 5, HBD 0, PSA 63.68, QED 0.3
Compound (SMILES): CCOCOc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1
InChIKey: HYLCHUWSFDHNEZ-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 477.52, ALogP 3.92, HBA 8, HBD 0, PSA 111.83, QED 0.2
Compound (SMILES): CCOCOc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1
InChIKey: FZVDJKNMPQFWSB-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 = 240 nM (pChEMBL 6.619999885559082)
Descriptors: MW 462.5, ALogP 4.21, HBA 7, HBD 0, PSA 98.94, QED 0.2
Compound (SMILES): CCOCOc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1
InChIKey: DFNKZHXDRKATOE-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 477.58, ALogP 5.29, HBA 6, HBD 0, PSA 72.91, QED 0.18
Compound (SMILES): CCOCOc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2nc(C)no2)cc1
InChIKey: MAHCGSKWRPIGLE-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 = 142 nM (pChEMBL 6.849999904632568)
Descriptors: MW 477.52, ALogP 3.92, HBA 8, HBD 0, PSA 111.83, QED 0.2
Compound (SMILES): Cc1cc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3C(=O)N3CCOCC3)cc2)cs1
InChIKey: LIMKOLWRTOHFJA-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 = 395 nM (pChEMBL 6.400000095367432)
Descriptors: MW 530.65, ALogP 4.69, HBA 6, HBD 0, PSA 83.99, QED 0.34
Compound (SMILES): COCCN(C)C(=O)c1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1
InChIKey: JMDYZEPSOOVNRQ-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 = 217 nM (pChEMBL 6.659999847412109)
Descriptors: MW 532.66, ALogP 4.94, HBA 6, HBD 0, PSA 83.99, QED 0.29
Compound (SMILES): Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3S(C)(=O)=O)cc2)o1
InChIKey: PHZQMMYDZVQLJA-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 = 77 nM (pChEMBL 7.110000133514404)
Descriptors: MW 479.55, ALogP 4.16, HBA 6, HBD 0, PSA 101.73, QED 0.39
Compound (SMILES): Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3C(=O)N3CCOCC3)cc2)o1
InChIKey: ODXNXQDRNKHLPZ-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 = 213 nM (pChEMBL 6.670000076293945)
Descriptors: MW 514.58, ALogP 4.23, HBA 6, HBD 0, PSA 97.13, QED 0.36
Compound (SMILES): COCCOc1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(SC)cc1
InChIKey: SXWHVKRXHQHWJP-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 = 254 nM (pChEMBL 6.590000152587891)
Descriptors: MW 456.56, ALogP 3.72, HBA 7, HBD 0, PSA 85.8, QED 0.23
Compound (SMILES): CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1ccccc1OCC1OCCO1
InChIKey: SLDZAWLUACADND-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 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 505.59, ALogP 4.67, HBA 7, HBD 0, PSA 82.14, QED 0.33
Compound (SMILES): Cc1noc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3COC(C)C)cc2)n1
InChIKey: KFSJFGNSRGVBME-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 = 186 nM (pChEMBL 6.730000019073486)
Descriptors: MW 475.55, ALogP 4.47, HBA 7, HBD 0, PSA 102.6, QED 0.35
Compound (SMILES): COc1ccccc1C1C(C(=O)c2cc[nH]c2)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1
InChIKey: SXVUXZIXKNQBFH-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 470.55, ALogP 5.22, HBA 5, HBD 1, PSA 79.47, QED 0.24
Compound (SMILES): Cc1nc(-c2ccc(N3C(=O)C(=O)C(C(=O)c4cc[nH]c4)C3C3CCCCC3)cc2)no1
InChIKey: LMXRRFJERDETGQ-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 = 579 nM (pChEMBL 6.239999771118164)
Descriptors: MW 432.48, ALogP 3.74, HBA 6, HBD 1, PSA 109.16, QED 0.37
Compound (SMILES): COC(=O)C(C)(C)CC(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1ccccc1OC
InChIKey: HCLSMWLRQWRYFK-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 505.59, ALogP 4.86, HBA 7, HBD 0, PSA 89.98, QED 0.25
Compound (SMILES): COc1ccccc1C1C(C(=O)CC(C)(C)C(=O)O)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1
InChIKey: NUNLNEMFOKWACI-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 = 444 nM (pChEMBL 6.349999904632568)
Descriptors: MW 491.57, ALogP 4.77, HBA 6, HBD 1, PSA 100.98, QED 0.36
Compound (SMILES): CSc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1
InChIKey: UNWFXORQKWJUDQ-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 449.6, ALogP 5.64, HBA 5, HBD 0, PSA 54.45, QED 0.28
Compound (SMILES): CSc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1
InChIKey: BEDKUORFBQOTKE-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 463.62, ALogP 5.94, HBA 5, HBD 0, PSA 54.45, QED 0.26
Compound (SMILES): COc1ccc(S(=O)(=O)C2C(=O)C(=O)N(c3ccc(-c4noc(C)n4)cc3)C2C2CCCCC2)cc1
InChIKey: QRMPOCRDIMLCIS-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 = 275 nM (pChEMBL 6.559999942779541)
Descriptors: MW 509.58, ALogP 3.76, HBA 8, HBD 0, PSA 119.67, QED 0.46
Compound (SMILES): COc1ccccc1C1C(S(=O)(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1
InChIKey: LQUZRAKUWZBQIJ-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 469.58, ALogP 4.27, HBA 6, HBD 0, PSA 80.75, QED 0.5
Compound (SMILES): COCCOc1ccccc1C1C(S(=O)(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1
InChIKey: LHHCBPJQPMFWGL-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 = 42 nM (pChEMBL 7.380000114440918)
Descriptors: MW 513.64, ALogP 4.29, HBA 7, HBD 0, PSA 89.98, QED 0.31
Compound (SMILES): CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1cccnc1OCCCO
InChIKey: DSNFZYHIBCAQJG-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 478.57, ALogP 4.07, HBA 7, HBD 1, PSA 96.8, QED 0.28
Compound (SMILES): COCCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1
InChIKey: ZIOLTXFNHGPWRY-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 492.6, ALogP 4.72, HBA 7, HBD 0, PSA 85.8, QED 0.23
Compound (SMILES): CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)C1c1cccnc1OCCCO
InChIKey: HLEFLACIXPVUBB-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 = 61 nM (pChEMBL 7.210000038146973)
Descriptors: MW 462.5, ALogP 3.6, HBA 7, HBD 1, PSA 109.94, QED 0.29
Compound (SMILES): COCCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1
InChIKey: OWCRQTNJUZKZEH-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 476.53, ALogP 4.26, HBA 7, HBD 0, PSA 98.94, QED 0.24
Compound (SMILES): Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3cccnc3OCCCO)cc2)s1
InChIKey: RJVOTTGHTVIXTC-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 492.6, ALogP 4.38, HBA 7, HBD 1, PSA 96.8, QED 0.27
Compound (SMILES): COCCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1
InChIKey: PAYUPMDZXNJZNZ-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 506.62, ALogP 5.03, HBA 7, HBD 0, PSA 85.8, QED 0.22
Compound (SMILES): Cc1cc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3cccnc3OCCCO)cc2)cs1
InChIKey: LEFRMCCOAKONPL-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 492.6, ALogP 4.38, HBA 7, HBD 1, PSA 96.8, QED 0.27
Compound (SMILES): COCCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1
InChIKey: KSINMFIWFMBYFM-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 = 60 nM (pChEMBL 7.21999979019165)
Descriptors: MW 506.62, ALogP 5.03, HBA 7, HBD 0, PSA 85.8, QED 0.22
Compound (SMILES): Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3cccnc3C(N)=O)cc2)s1
InChIKey: RJDBRBVWSBBYEE-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 = 171 nM (pChEMBL 6.769999980926514)
Descriptors: MW 475.57, ALogP 4.11, HBA 6, HBD 1, PSA 110.43, QED 0.41
Compound (SMILES): CNC(=O)c1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1
InChIKey: ZYHYOJHMMXGWLA-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 = 123 nM (pChEMBL 6.909999847412109)
Descriptors: MW 489.6, ALogP 4.37, HBA 6, HBD 1, PSA 96.44, QED 0.39
Compound (SMILES): Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3cccnc3C(=O)N(C)C)cc2)s1
InChIKey: GXNMAXBBOZAHFC-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 = 280 nM (pChEMBL 6.550000190734863)
Descriptors: MW 503.62, ALogP 4.71, HBA 6, HBD 0, PSA 87.65, QED 0.34
Compound (SMILES): CCN(C)C(=O)c1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1
InChIKey: DNVBOEMCMAUILF-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 517.65, ALogP 5.1, HBA 6, HBD 0, PSA 87.65, QED 0.31
Compound (SMILES): Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3cccnc3C(=O)NN(C)C)cc2)s1
InChIKey: UTOUYPOLMQECDA-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 = 237 nM (pChEMBL 6.619999885559082)
Descriptors: MW 518.64, ALogP 4.21, HBA 7, HBD 1, PSA 99.68, QED 0.27
Compound (SMILES): Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3cccnc3C(=O)NCC#N)cc2)s1
InChIKey: DWWZLOMIGAAQKC-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 514.61, ALogP 4.26, HBA 7, HBD 1, PSA 120.23, QED 0.27
Compound (SMILES): Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3cccnc3C(=O)NC(C)C)cc2)s1
InChIKey: VNXPGDTVXDCEJC-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 = 386 nM (pChEMBL 6.409999847412109)
Descriptors: MW 517.65, ALogP 5.15, HBA 6, HBD 1, PSA 96.44, QED 0.33
Compound (SMILES): Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3cccnc3C(=O)N3CCCC3)cc2)s1
InChIKey: DSIOEIMIAFCEJY-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 = 429 nM (pChEMBL 6.369999885559082)
Descriptors: MW 529.66, ALogP 5.24, HBA 6, HBD 0, PSA 87.65, QED 0.31
Compound (SMILES): COCCNC(=O)c1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1
InChIKey: QCPUGAZMZLLJIV-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 = 466 nM (pChEMBL 6.329999923706055)
Descriptors: MW 533.65, ALogP 4.38, HBA 7, HBD 1, PSA 105.67, QED 0.24
Compound (SMILES): COCCN(C)C(=O)c1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1
InChIKey: GROZJVLBVJYTDQ-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 = 359 nM (pChEMBL 6.449999809265137)
Descriptors: MW 547.68, ALogP 4.73, HBA 7, HBD 0, PSA 96.88, QED 0.27
Compound (SMILES): Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3cccnc3C(=O)NCCN(C)C)cc2)s1
InChIKey: GJXRYTKFPOAMPJ-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 = 100 nM (pChEMBL 7)
Descriptors: MW 546.69, ALogP 4.3, HBA 7, HBD 1, PSA 99.68, QED 0.3
Compound (SMILES): Cc1cc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3C(=O)N(C)CCO)cc2)cs1
InChIKey: FIFLEAPMPFILEA-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 = 167 nM (pChEMBL 6.78000020980835)
Descriptors: MW 518.64, ALogP 4.29, HBA 6, HBD 1, PSA 94.99, QED 0.35
Compound (SMILES): Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3C(=O)N(C)CCO)cc2)o1
InChIKey: OQUMQPXIQFTAHR-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 = 157 nM (pChEMBL 6.800000190734863)
Descriptors: MW 502.57, ALogP 3.82, HBA 6, HBD 1, PSA 108.13, QED 0.37
Compound (SMILES): COCCN(C)C(=O)c1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1
InChIKey: KDLQDYNCCPDIKO-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 = 254 nM (pChEMBL 6.590000152587891)
Descriptors: MW 516.59, ALogP 4.47, HBA 6, HBD 0, PSA 97.13, QED 0.31
Compound (SMILES): C/N=C1\CC(C)(C)C(=O)OC2=C1C(c1ccccc1OC)N(c1ccc(-c3ccsc3)cc1)C2=O
InChIKey: BYRKIAPEYJZBGQ-XHLNEMQHSA-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 = 374 nM (pChEMBL 6.429999828338623)
Descriptors: MW 486.59, ALogP 5.81, HBA 6, HBD 0, PSA 68.2, QED 0.44
Compound (SMILES): CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)C1c1ccccc1OCC1CC1
InChIKey: KHXDEFIWKFRPTM-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 458.51, ALogP 4.63, HBA 6, HBD 0, PSA 89.71, QED 0.36
Compound (SMILES): CSc1ccc(N2C(=O)C(=O)C(C(=O)C(C)C)C2c2ccccc2OCC2CC2)cc1
InChIKey: AMZRNZZRYMVDCM-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 437.56, ALogP 4.7, HBA 5, HBD 0, PSA 63.68, QED 0.34
Compound (SMILES): CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)C1c1ccccc1OCC1CCOCC1
InChIKey: ZUMFXVVUSSIQGF-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 502.57, ALogP 4.65, HBA 7, HBD 0, PSA 98.94, QED 0.33
Compound (SMILES): CSc1ccc(N2C(=O)C(=O)C(C(=O)C(C)C)C2c2ccccc2OCC2CCOCC2)cc1
InChIKey: ZERQNWDDVWGKSD-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 481.61, ALogP 4.71, HBA 6, HBD 0, PSA 72.91, QED 0.31
Compound (SMILES): Cc1nc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3CCC(N)=O)cc2)no1
InChIKey: ASNYAZKDZNXGBL-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 = 827 nM (pChEMBL 6.079999923706055)
Descriptors: MW 474.52, ALogP 2.96, HBA 7, HBD 1, PSA 136.46, QED 0.39
Compound (SMILES): CNC(=O)CCc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1
InChIKey: XMKJWCABDCDRHE-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 = 811 nM (pChEMBL 6.090000152587891)
Descriptors: MW 488.54, ALogP 3.22, HBA 7, HBD 1, PSA 122.47, QED 0.38
Compound (SMILES): Cc1nc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3CCC(=O)NC(C)C)cc2)no1
InChIKey: QWXOCLXPZNZCFA-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 = 715 nM (pChEMBL 6.150000095367432)
Descriptors: MW 516.6, ALogP 4, HBA 7, HBD 1, PSA 122.47, QED 0.34
Compound (SMILES): Cc1cc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3N3CCCC3=O)cc2)cs1
InChIKey: JTAPFYIQJGFBCZ-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 = 785 nM (pChEMBL 6.110000133514404)
Descriptors: MW 500.62, ALogP 5.35, HBA 5, HBD 0, PSA 74.76, QED 0.34
Compound (SMILES): CCCc1ccc(N2C(=O)c3n[nH]c(C(C)(C)C)c3C2c2ccccc2OC)cc1
InChIKey: FALSDNZMYFWPCC-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 = 104 nM (pChEMBL 6.980000019073486)
Descriptors: MW 403.53, ALogP 5.42, HBA 3, HBD 1, PSA 58.22, QED 0.62
Compound (SMILES): COc1ccccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(OC(C)C)cc1
InChIKey: KUSZBSACZKSBEU-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 = 217 nM (pChEMBL 6.659999847412109)
Descriptors: MW 419.53, ALogP 5.25, HBA 4, HBD 1, PSA 67.45, QED 0.61
Compound (SMILES): COc1ccccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(C(C)(C)C)cc1
InChIKey: JXQLSSXSIXTLMR-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 = 140 nM (pChEMBL 6.849999904632568)
Descriptors: MW 417.55, ALogP 5.76, HBA 3, HBD 1, PSA 58.22, QED 0.59
Compound (SMILES): COc1ccccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(SC(F)(F)F)cc1
InChIKey: VIBFDGBSFLBUNC-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 = 378 nM (pChEMBL 6.420000076293945)
Descriptors: MW 461.51, ALogP 6.08, HBA 4, HBD 1, PSA 58.22, QED 0.48
Compound (SMILES): CC(C)(C)c1[nH]nc2c1C(c1cccc3c1OCO3)N(c1ccc(-c3ccon3)cc1)C2=O
InChIKey: WGCFRXSUAXISFM-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 = 245 nM (pChEMBL 6.610000133514404)
Descriptors: MW 442.48, ALogP 4.84, HBA 6, HBD 1, PSA 93.48, QED 0.49