lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCOC)nc(-c3ccccc3)n2)CC1
InChIKey: VVJJQYSCEBVDHE-NRFANRHFSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 571.63, ALogP 2.21, HBA 9, HBD 2, PSA 160.49, QED 0.32
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCOC)nc(-c3ccccc3)n2)CC1
InChIKey: QSQZAAXOWHAIHP-QFIPXVFZSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 1.2 nM (pChEMBL 8.920000076293945)
Descriptors: MW 585.66, ALogP 2.6, HBA 9, HBD 2, PSA 160.49, QED 0.3
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(OCCOC)cc(-c3ccccc3)n2)CC1
InChIKey: MBKRUNMEAGPEHL-QFIPXVFZSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 1.2 nM (pChEMBL 8.920000076293945)
Descriptors: MW 585.66, ALogP 2.6, HBA 9, HBD 2, PSA 160.49, QED 0.3
Compound (SMILES): CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCCO3)nc(-c3ccccc3)n2)CC1
InChIKey: CMPXHRVOTWOKFI-WCSIJFPASA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 55 nM (pChEMBL 7.260000228881836)
Descriptors: MW 597.67, ALogP 2.75, HBA 9, HBD 2, PSA 160.49, QED 0.33
Compound (SMILES): CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCN(CC)CC)nc(-c3ccccc3)n2)CC1
InChIKey: QTXCIJBNAVVGPX-DEOSSOPVSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 72 nM (pChEMBL 7.139999866485596)
Descriptors: MW 612.73, ALogP 2.91, HBA 9, HBD 2, PSA 154.5, QED 0.27
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCN(CC)CC)nc(-c3ccccc3)n2)CC1
InChIKey: UTBGSERQHXULAJ-VWLOTQADSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 27 nM (pChEMBL 7.570000171661377)
Descriptors: MW 626.76, ALogP 3.3, HBA 9, HBD 2, PSA 154.5, QED 0.25
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(OCCN(CC)CC)cc(-c3ccccc3)n2)CC1
InChIKey: BNZXFJZJPBMAII-VWLOTQADSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 184 nM (pChEMBL 6.739999771118164)
Descriptors: MW 626.76, ALogP 3.3, HBA 9, HBD 2, PSA 154.5, QED 0.25
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCCN3CCOCC3)nc(-c3ccccc3)n2)CC1
InChIKey: OTPVYTZQPGECTK-SANMLTNESA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 2.8 nM (pChEMBL 8.550000190734863)
Descriptors: MW 654.76, ALogP 2.68, HBA 10, HBD 2, PSA 163.73, QED 0.26
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(OCCCN3CCOCC3)cc(-c3ccccc3)n2)CC1
InChIKey: IFJJFBIHRGTSBT-SANMLTNESA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 654.76, ALogP 2.68, HBA 10, HBD 2, PSA 163.73, QED 0.26
Compound (SMILES): CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCNCC3)nc(-c3ccccc3)n2)CC1
InChIKey: OMLUUSKSADPGDH-QHCPKHFHSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 596.69, ALogP 2.32, HBA 9, HBD 3, PSA 163.29, QED 0.31
Compound (SMILES): CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCN(C(C)C)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: RRESUGLDBSIDFQ-SANMLTNESA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 19 nM (pChEMBL 7.71999979019165)
Descriptors: MW 638.77, ALogP 3.44, HBA 9, HBD 2, PSA 154.5, QED 0.31
Compound (SMILES): CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCNCC3)nc(-c3ccccc3)n2)CC1
InChIKey: JQUMWDFIPZDIAZ-DEOSSOPVSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 16 nM (pChEMBL 7.800000190734863)
Descriptors: MW 610.71, ALogP 2.57, HBA 9, HBD 3, PSA 163.29, QED 0.29
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCNCC3)nc(-c3ccccc3)n2)CC1
InChIKey: HABPUKRZPQNNEK-VWLOTQADSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 2.2 nM (pChEMBL 8.65999984741211)
Descriptors: MW 624.74, ALogP 2.96, HBA 9, HBD 3, PSA 163.29, QED 0.27
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(OCC3CCNCC3)cc(-c3ccccc3)n2)CC1
InChIKey: YFKOOCNNDQIZCU-VWLOTQADSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 31 nM (pChEMBL 7.510000228881836)
Descriptors: MW 624.74, ALogP 2.96, HBA 9, HBD 3, PSA 163.29, QED 0.27
Compound (SMILES): CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCN(C)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: HSDDUUCENSVBLS-VWLOTQADSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 15 nM (pChEMBL 7.820000171661377)
Descriptors: MW 624.74, ALogP 2.91, HBA 9, HBD 2, PSA 154.5, QED 0.32
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCN(C)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: GLHZGESSEPXWKG-SANMLTNESA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 5.7 nM (pChEMBL 8.239999771118164)
Descriptors: MW 638.77, ALogP 3.3, HBA 9, HBD 2, PSA 154.5, QED 0.29
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(OCC3CCN(C)CC3)cc(-c3ccccc3)n2)CC1
InChIKey: VPHHVNRANJJJOV-SANMLTNESA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 638.77, ALogP 3.3, HBA 9, HBD 2, PSA 154.5, QED 0.29
Compound (SMILES): CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(CC)C(=O)N(CC)CC)nc(-c3ccccc3)n2)CC1
InChIKey: ZMRUIPHMUHVQSL-QSAPEBAKSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 123 nM (pChEMBL 6.909999847412109)
Descriptors: MW 654.77, ALogP 3.21, HBA 9, HBD 2, PSA 171.57, QED 0.26
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(SC(C)(C)C)nc(-c3ccccc3)n2)CC1
InChIKey: YXIIRRACBAUCEG-QFIPXVFZSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 42 nM (pChEMBL 7.380000114440918)
Descriptors: MW 599.75, ALogP 4.47, HBA 8, HBD 2, PSA 142.03, QED 0.21
Compound (SMILES): CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CCN(CCc3ccsc3)CC2)cc1
InChIKey: NBTLLFDYGSFOBW-UHFFFAOYSA-N
Target: Mu-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35372
Assay: Displacement of [125I]FK33824 from human cloned mu opioid receptor
Measurement: Ki = 1596 nM (pChEMBL 5.800000190734863)
Descriptors: MW 491.7, ALogP 6.08, HBA 5, HBD 0, PSA 36.02, QED 0.34
Compound (SMILES): CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CCN(CCc3cccs3)CC2)cc1
InChIKey: HPLBEWFHWQSGMS-UHFFFAOYSA-N
Target: Kappa-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41145
Assay: Displacement of [125I]D-pro10-dynorphin from human cloned kappa opioid receptor
Measurement: Ki = 6405 nM (pChEMBL 5.190000057220459)
Descriptors: MW 491.7, ALogP 6.08, HBA 5, HBD 0, PSA 36.02, QED 0.34
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(SCCO)nc(-c3ccccc3)n2)CC1
InChIKey: BHRRQKCXMMILKK-NRFANRHFSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 4.5 nM (pChEMBL 8.350000381469727)
Descriptors: MW 587.7, ALogP 2.66, HBA 9, HBD 3, PSA 162.26, QED 0.17
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(SCC(F)(F)F)nc(-c3ccccc3)n2)CC1
InChIKey: IKYJUKSLGLNACS-FQEVSTJZSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 22 nM (pChEMBL 7.659999847412109)
Descriptors: MW 625.67, ALogP 4.23, HBA 8, HBD 2, PSA 142.03, QED 0.19
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(SC3CCCC3)nc(-c3ccccc3)n2)CC1
InChIKey: AGTQKMKCEYTVNM-DEOSSOPVSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 17 nM (pChEMBL 7.769999980926514)
Descriptors: MW 611.77, ALogP 4.61, HBA 8, HBD 2, PSA 142.03, QED 0.25
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(SC3CCCCC3)nc(-c3ccccc3)n2)CC1
InChIKey: BTDKNKMHPMAUTP-VWLOTQADSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 70 nM (pChEMBL 7.159999847412109)
Descriptors: MW 625.79, ALogP 5, HBA 8, HBD 2, PSA 142.03, QED 0.23
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCOC)nc(-c3ccccc3)n2)CC1
InChIKey: JWRHFTGJLNGSTG-QFIPXVFZSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 1.2 nM (pChEMBL 8.920000076293945)
Descriptors: MW 584.67, ALogP 2.64, HBA 9, HBD 3, PSA 163.29, QED 0.27
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(NCCOC)cc(-c3ccccc3)n2)CC1
InChIKey: YBSDQGBRPKMWQR-QFIPXVFZSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 5.2 nM (pChEMBL 8.279999732971191)
Descriptors: MW 584.67, ALogP 2.64, HBA 9, HBD 3, PSA 163.29, QED 0.27
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCOCC3)nc(-c3ccccc3)n2)CC1
InChIKey: KMYAVJPUJOQVQY-QHCPKHFHSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 1 nM (pChEMBL 9)
Descriptors: MW 596.69, ALogP 2.41, HBA 9, HBD 2, PSA 154.5, QED 0.35
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCOCC3)n2)CC1
InChIKey: RMFDOPODBSJNHS-QHCPKHFHSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 596.69, ALogP 2.41, HBA 9, HBD 2, PSA 154.5, QED 0.35
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC(O)C3)nc(-c3ccccc3)n2)CC1
InChIKey: CLNNXCRWIUGANT-QFIPXVFZSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 2.5 nM (pChEMBL 8.600000381469727)
Descriptors: MW 582.66, ALogP 1.76, HBA 9, HBD 3, PSA 165.5, QED 0.31
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC(OCC)C3)nc(-c3ccccc3)n2)CC1
InChIKey: RHDIKXVQQLTBEO-DEOSSOPVSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 1.2 nM (pChEMBL 8.920000076293945)
Descriptors: MW 610.71, ALogP 2.8, HBA 9, HBD 2, PSA 154.5, QED 0.31
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCCN(C)C)nc(-c3ccccc3)n2)CC1
InChIKey: KTVLATPJLYVLET-DEOSSOPVSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 4.8 nM (pChEMBL 8.319999694824219)
Descriptors: MW 611.74, ALogP 2.94, HBA 9, HBD 3, PSA 157.3, QED 0.24
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(NCCCN(C)C)cc(-c3ccccc3)n2)CC1
InChIKey: DICIVWHRBPJFMU-DEOSSOPVSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 38 nM (pChEMBL 7.420000076293945)
Descriptors: MW 611.74, ALogP 2.94, HBA 9, HBD 3, PSA 157.3, QED 0.24
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCC3CCNC3)nc(-c3ccccc3)n2)CC1
InChIKey: UUKHGIDCLJQJBK-GITCGBDTSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 4.1 nM (pChEMBL 8.390000343322754)
Descriptors: MW 609.73, ALogP 2.6, HBA 9, HBD 4, PSA 166.09, QED 0.23
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(NCC3CCNC3)cc(-c3ccccc3)n2)CC1
InChIKey: AXDIPPOKVUZQIS-GITCGBDTSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 19 nM (pChEMBL 7.71999979019165)
Descriptors: MW 609.73, ALogP 2.6, HBA 9, HBD 4, PSA 166.09, QED 0.23
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NC3CCN(C(C)C)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: WYJKQHXCVKYNHB-MHZLTWQESA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 9.4 nM (pChEMBL 8.029999732971191)
Descriptors: MW 651.81, ALogP 3.86, HBA 9, HBD 3, PSA 157.3, QED 0.26
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(NC3CCN(C(C)C)CC3)cc(-c3ccccc3)n2)CC1
InChIKey: OUOSWWMTGSDTPW-MHZLTWQESA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 35 nM (pChEMBL 7.460000038146973)
Descriptors: MW 651.81, ALogP 3.86, HBA 9, HBD 3, PSA 157.3, QED 0.26
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(C)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: NDKVFAXEDFVNPY-DEOSSOPVSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 2.7 nM (pChEMBL 8.569999694824219)
Descriptors: MW 609.73, ALogP 2.33, HBA 9, HBD 2, PSA 148.51, QED 0.34
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCN(C)CC3)n2)CC1
InChIKey: AXDLCTBYPALFAX-DEOSSOPVSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 609.73, ALogP 2.33, HBA 9, HBD 2, PSA 148.51, QED 0.34
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: UZOWYWURTADROI-DEOSSOPVSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 0.69 nM (pChEMBL 9.15999984741211)
Descriptors: MW 609.73, ALogP 2.51, HBA 9, HBD 3, PSA 171.29, QED 0.3
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(N)CC3)n2)CC1
InChIKey: ZBLPMBFMCSDTSV-DEOSSOPVSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 8.4 nM (pChEMBL 8.079999923706055)
Descriptors: MW 609.73, ALogP 2.51, HBA 9, HBD 3, PSA 171.29, QED 0.3
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCNCC3)nc(-c3ccccc3)n2)CC1
InChIKey: PNMAFQALOJQMNR-QHCPKHFHSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 595.7, ALogP 1.99, HBA 9, HBD 3, PSA 157.3, QED 0.31
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCNCC3)n2)CC1
InChIKey: RGUGTDWQEKCYPW-QHCPKHFHSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 22 nM (pChEMBL 7.659999847412109)
Descriptors: MW 595.7, ALogP 1.99, HBA 9, HBD 3, PSA 157.3, QED 0.31
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(C(C)=O)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: ARMSCLSZFVRRFC-VWLOTQADSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 3.7 nM (pChEMBL 8.430000305175781)
Descriptors: MW 637.74, ALogP 2.25, HBA 9, HBD 2, PSA 165.58, QED 0.33
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCN(C(C)=O)CC3)n2)CC1
InChIKey: PJMSTDOCFVDBNX-VWLOTQADSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 29 nM (pChEMBL 7.539999961853027)
Descriptors: MW 637.74, ALogP 2.25, HBA 9, HBD 2, PSA 165.58, QED 0.33
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(C(N)=O)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: HWAOFTWAGUXRLR-QHCPKHFHSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 1.2 nM (pChEMBL 8.920000076293945)
Descriptors: MW 638.73, ALogP 1.78, HBA 9, HBD 3, PSA 191.6, QED 0.29
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCN(C(N)=O)CC3)n2)CC1
InChIKey: BIMYKYJNZDMNIX-QHCPKHFHSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 5.8 nM (pChEMBL 8.239999771118164)
Descriptors: MW 638.73, ALogP 1.78, HBA 9, HBD 3, PSA 191.6, QED 0.29
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(C(=O)N(C)C)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: YWXXVTYHLHXFDX-VWLOTQADSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 2.9 nM (pChEMBL 8.539999961853027)
Descriptors: MW 666.78, ALogP 2.38, HBA 9, HBD 2, PSA 168.82, QED 0.32
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCN(C(=O)N(C)C)CC3)n2)CC1
InChIKey: SRVVLERIZYQDEE-VWLOTQADSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 666.78, ALogP 2.38, HBA 9, HBD 2, PSA 168.82, QED 0.32
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(CC(=O)N(C)C)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: SZHRAPQCBRBOHP-SANMLTNESA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 2.6 nM (pChEMBL 8.59000015258789)
Descriptors: MW 680.81, ALogP 1.79, HBA 10, HBD 2, PSA 168.82, QED 0.28
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCN(CC(=O)N(C)C)CC3)n2)CC1
InChIKey: WNMGKFILTAYPMX-SANMLTNESA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 6.8 nM (pChEMBL 8.170000076293945)
Descriptors: MW 680.81, ALogP 1.79, HBA 10, HBD 2, PSA 168.82, QED 0.28
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(CC(=O)N4CCCC4)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: YYMWYDNBNYHNJD-NDEPHWFRSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 2.1 nM (pChEMBL 8.680000305175781)
Descriptors: MW 706.84, ALogP 2.32, HBA 10, HBD 2, PSA 168.82, QED 0.28
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(CCOC)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: PTRCCHACZNXFNJ-SANMLTNESA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 2.3 nM (pChEMBL 8.640000343322754)
Descriptors: MW 653.78, ALogP 2.35, HBA 10, HBD 2, PSA 157.74, QED 0.27
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCN(CCOC)CC3)n2)CC1
InChIKey: YOIQRJLSUZXBJH-SANMLTNESA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 653.78, ALogP 2.35, HBA 10, HBD 2, PSA 157.74, QED 0.27
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: BOUNEKAVTUBALA-VWLOTQADSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 7.5 nM (pChEMBL 8.119999885559082)
Descriptors: MW 608.74, ALogP 3.81, HBA 8, HBD 2, PSA 145.27, QED 0.34
Compound (SMILES): CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N4CCCC4)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: BBCGEWDMWBJDLG-MHZLTWQESA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 1.7 nM (pChEMBL 8.770000457763672)
Descriptors: MW 649.79, ALogP 3.25, HBA 9, HBD 2, PSA 148.51, QED 0.33
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N4CCCC4)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: GLCCBGAUWUPRKN-NDEPHWFRSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 1.5 nM (pChEMBL 8.819999694824219)
Descriptors: MW 663.82, ALogP 3.64, HBA 9, HBD 2, PSA 148.51, QED 0.3
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(N4CCCC4)CC3)n2)CC1
InChIKey: YYALDPVSMIOWKY-NDEPHWFRSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 7.4 nM (pChEMBL 8.130000114440918)
Descriptors: MW 663.82, ALogP 3.64, HBA 9, HBD 2, PSA 148.51, QED 0.3
Compound (SMILES): CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N4CCOCC4)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: PSGPLKHMMLCGSB-MHZLTWQESA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 1.3 nM (pChEMBL 8.890000343322754)
Descriptors: MW 665.79, ALogP 2.49, HBA 10, HBD 2, PSA 157.74, QED 0.32
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N4CCOCC4)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: YAMLVDXZRGDJAN-NDEPHWFRSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 2.9 nM (pChEMBL 8.539999961853027)
Descriptors: MW 679.82, ALogP 2.88, HBA 10, HBD 2, PSA 157.74, QED 0.3
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(N4CCOCC4)CC3)n2)CC1
InChIKey: GUGIJIRBKATBAC-NDEPHWFRSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 5.9 nM (pChEMBL 8.229999542236328)
Descriptors: MW 679.82, ALogP 2.88, HBA 10, HBD 2, PSA 157.74, QED 0.3
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: JWSCCUYVOQHUIB-VWLOTQADSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 623.75, ALogP 2.75, HBA 9, HBD 3, PSA 171.29, QED 0.28
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(CN)CC3)n2)CC1
InChIKey: UBUZWWOZWUDJKW-VWLOTQADSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 9.4 nM (pChEMBL 8.029999732971191)
Descriptors: MW 623.75, ALogP 2.75, HBA 9, HBD 3, PSA 171.29, QED 0.28
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CNC)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: XUWSMMRMXJEUHY-SANMLTNESA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 1.2 nM (pChEMBL 8.920000076293945)
Descriptors: MW 637.78, ALogP 3.01, HBA 9, HBD 3, PSA 157.3, QED 0.26
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(CNC)CC3)n2)CC1
InChIKey: NBXSCIMTESFXBE-SANMLTNESA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 637.78, ALogP 3.01, HBA 9, HBD 3, PSA 157.3, QED 0.26
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CNCC)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: XSGYSIUXAVBGDR-MHZLTWQESA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 2.2 nM (pChEMBL 8.65999984741211)
Descriptors: MW 651.81, ALogP 3.4, HBA 9, HBD 3, PSA 157.3, QED 0.24
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(CNCC)CC3)n2)CC1
InChIKey: QVGJVYXZLUMBIK-MHZLTWQESA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 651.81, ALogP 3.4, HBA 9, HBD 3, PSA 157.3, QED 0.24
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN(CC)CC)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: FROMLTZQUDUXPE-LJAQVGFWSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 0.61 nM (pChEMBL 9.210000038146973)
Descriptors: MW 679.86, ALogP 4.14, HBA 9, HBD 2, PSA 148.51, QED 0.25
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN4CCCC4)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: NIUQYBATAMSSIJ-LJAQVGFWSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 0.4 nM (pChEMBL 9.399999618530273)
Descriptors: MW 677.85, ALogP 3.89, HBA 9, HBD 2, PSA 148.51, QED 0.28
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CCN)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: UXERYSPRDLKTFO-SANMLTNESA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 2.7 nM (pChEMBL 8.569999694824219)
Descriptors: MW 637.78, ALogP 3.14, HBA 9, HBD 3, PSA 171.29, QED 0.26
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(CCN)CC3)n2)CC1
InChIKey: AUYPTSZHJCUGSJ-SANMLTNESA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 637.78, ALogP 3.14, HBA 9, HBD 3, PSA 171.29, QED 0.26
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CCN(C)C)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: QBDNYYHDNMVTQR-NDEPHWFRSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 2.8 nM (pChEMBL 8.550000190734863)
Descriptors: MW 665.84, ALogP 3.75, HBA 9, HBD 2, PSA 148.51, QED 0.27
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CCN4CCCC4)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: QUILJMWZLJBUHR-PMERELPUSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 2.1 nM (pChEMBL 8.680000305175781)
Descriptors: MW 691.87, ALogP 4.28, HBA 9, HBD 2, PSA 148.51, QED 0.26
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(CCN4CCCC4)CC3)n2)CC1
InChIKey: YJTDQHKQTYCSIG-PMERELPUSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 4.2 nM (pChEMBL 8.380000114440918)
Descriptors: MW 691.87, ALogP 4.28, HBA 9, HBD 2, PSA 148.51, QED 0.26
Compound (SMILES): CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(OC)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: ZTMYBEABVWIVAC-DEOSSOPVSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 1.4 nM (pChEMBL 8.850000381469727)
Descriptors: MW 610.71, ALogP 2.8, HBA 9, HBD 2, PSA 154.5, QED 0.34
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(OC)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: MYIHHVKKBPPOTI-VWLOTQADSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 624.74, ALogP 3.19, HBA 9, HBD 2, PSA 154.5, QED 0.32
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(OC)CC3)n2)CC1
InChIKey: REWAHFWHGFJCML-VWLOTQADSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 7.4 nM (pChEMBL 8.130000114440918)
Descriptors: MW 624.74, ALogP 3.19, HBA 9, HBD 2, PSA 154.5, QED 0.32
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(OCCOC)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: HJKBHAXBKVQSRV-MHZLTWQESA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 5.3 nM (pChEMBL 8.279999732971191)
Descriptors: MW 668.79, ALogP 3.21, HBA 10, HBD 2, PSA 163.73, QED 0.25
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(OCCOC)CC3)n2)CC1
InChIKey: DFPBTPLZBKQSDL-MHZLTWQESA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 7.1 nM (pChEMBL 8.149999618530273)
Descriptors: MW 668.79, ALogP 3.21, HBA 10, HBD 2, PSA 163.73, QED 0.25
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(OCCO)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: IWRWBWOLICVAAY-SANMLTNESA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 0.71 nM (pChEMBL 9.149999618530273)
Descriptors: MW 654.77, ALogP 2.56, HBA 10, HBD 3, PSA 174.73, QED 0.24
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(OCCO)CC3)n2)CC1
InChIKey: FQOAMXCZSHIBAL-SANMLTNESA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 10 nM (pChEMBL 8)
Descriptors: MW 654.77, ALogP 2.56, HBA 10, HBD 3, PSA 174.73, QED 0.24
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(COC)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: KKROHLQVBPBBGT-SANMLTNESA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 8.4 nM (pChEMBL 8.079999923706055)
Descriptors: MW 638.77, ALogP 3.44, HBA 9, HBD 2, PSA 154.5, QED 0.29
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(COC)CC3)n2)CC1
InChIKey: VUBSORCAQRSHGI-SANMLTNESA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 638.77, ALogP 3.44, HBA 9, HBD 2, PSA 154.5, QED 0.29
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(COCCOC)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: YALJGTUHNWVHDP-NDEPHWFRSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 4.3 nM (pChEMBL 8.369999885559082)
Descriptors: MW 682.82, ALogP 3.46, HBA 10, HBD 2, PSA 163.73, QED 0.24
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(COCCOC)CC3)n2)CC1
InChIKey: PDUXHNSKSWROOZ-NDEPHWFRSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 8.1 nM (pChEMBL 8.09000015258789)
Descriptors: MW 682.82, ALogP 3.46, HBA 10, HBD 2, PSA 163.73, QED 0.24
Compound (SMILES): CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CCOC)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: UALKMJQTNUBZKR-SANMLTNESA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 638.77, ALogP 3.44, HBA 9, HBD 2, PSA 154.5, QED 0.29
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CCOC)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: LYGFRFIQOAREQT-MHZLTWQESA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 10.2 nM (pChEMBL 7.989999771118164)
Descriptors: MW 652.79, ALogP 3.83, HBA 9, HBD 2, PSA 154.5, QED 0.27
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(CCOC)CC3)n2)CC1
InChIKey: OHYKHEATQMYTHQ-MHZLTWQESA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 8.4 nM (pChEMBL 8.079999923706055)
Descriptors: MW 652.79, ALogP 3.83, HBA 9, HBD 2, PSA 154.5, QED 0.27
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN4CCCC4=O)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: DTAZYZLLWLLXMF-NDEPHWFRSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 0.99 nM (pChEMBL 9)
Descriptors: MW 691.83, ALogP 3.42, HBA 9, HBD 2, PSA 165.58, QED 0.28
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(N)=O)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: MUDTZJSGMBHOTM-DEOSSOPVSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 637.74, ALogP 2.28, HBA 9, HBD 3, PSA 188.36, QED 0.27
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(C(N)=O)CC3)n2)CC1
InChIKey: WZUCLAFTDDOOOX-DEOSSOPVSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 3.5 nM (pChEMBL 8.460000038146973)
Descriptors: MW 637.74, ALogP 2.28, HBA 9, HBD 3, PSA 188.36, QED 0.27
Compound (SMILES): CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N(C)C)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: JGMWIMJUKKYDPT-VWLOTQADSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 1.3 nM (pChEMBL 8.890000343322754)
Descriptors: MW 651.77, ALogP 2.49, HBA 9, HBD 2, PSA 165.58, QED 0.33
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N(C)C)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: QXPXXKHDAQTBBU-SANMLTNESA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 2.5 nM (pChEMBL 8.600000381469727)
Descriptors: MW 665.79, ALogP 2.88, HBA 9, HBD 2, PSA 165.58, QED 0.3
Compound (SMILES): CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)NCC)CC3)cc(-c3ccccc3)n2)CC1
InChIKey: CSSIJRLCRZWQPJ-MHZLTWQESA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Antagonist activity at P2Y12 receptor in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation by light transmission aggregometry
Measurement: IC50 = 490 nM (pChEMBL 6.309999942779541)
Descriptors: MW 650.78, ALogP 3.15, HBA 8, HBD 3, PSA 161.48, QED 0.28
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)NCC)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: IMQMUOAXQSNTDV-SANMLTNESA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 0.6 nM (pChEMBL 9.220000267028809)
Descriptors: MW 665.79, ALogP 2.93, HBA 9, HBD 3, PSA 174.37, QED 0.25
Compound (SMILES): CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N(CC)CC)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: VMLASUDVCYNFFT-MHZLTWQESA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 0.79 nM (pChEMBL 9.100000381469727)
Descriptors: MW 679.82, ALogP 3.27, HBA 9, HBD 2, PSA 165.58, QED 0.28
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N(CC)CC)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: PXIRQSBPQYAWRK-NDEPHWFRSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 1.5 nM (pChEMBL 8.819999694824219)
Descriptors: MW 693.85, ALogP 3.66, HBA 9, HBD 2, PSA 165.58, QED 0.26
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(C(=O)N(CC)CC)CC3)n2)CC1
InChIKey: WPUVIRLKGYXAFW-NDEPHWFRSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 3.6 nM (pChEMBL 8.4399995803833)
Descriptors: MW 693.85, ALogP 3.66, HBA 9, HBD 2, PSA 165.58, QED 0.26
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N4CCC4)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: QKISLPHRWUZKHU-MHZLTWQESA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 0.83 nM (pChEMBL 9.079999923706055)
Descriptors: MW 677.8, ALogP 3.03, HBA 9, HBD 2, PSA 165.58, QED 0.3
Compound (SMILES): CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N4CCCC4)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: VYSQDFGHAWNUBC-MHZLTWQESA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 0.7 nM (pChEMBL 9.149999618530273)
Descriptors: MW 677.8, ALogP 3.03, HBA 9, HBD 2, PSA 165.58, QED 0.32
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N4CCCC4)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: CBVPISJJLVALMU-NDEPHWFRSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 0.46 nM (pChEMBL 9.34000015258789)
Descriptors: MW 691.83, ALogP 3.42, HBA 9, HBD 2, PSA 165.58, QED 0.3
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(C(=O)N4CCCC4)CC3)n2)CC1
InChIKey: ILXYSMYZCUEKPI-NDEPHWFRSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 3.6 nM (pChEMBL 8.4399995803833)
Descriptors: MW 691.83, ALogP 3.42, HBA 9, HBD 2, PSA 165.58, QED 0.3
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CC(=O)NC)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: ZGJOIKGPFOECAU-SANMLTNESA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 0.9 nM (pChEMBL 9.050000190734863)
Descriptors: MW 665.79, ALogP 2.93, HBA 9, HBD 3, PSA 174.37, QED 0.25
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CC(=O)NCC)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: KNAFSCAQXWZIFH-MHZLTWQESA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 0.67 nM (pChEMBL 9.170000076293945)
Descriptors: MW 679.82, ALogP 3.32, HBA 9, HBD 3, PSA 174.37, QED 0.24
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CC(=O)N(CC)CC)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: VCFCRKRHMWQJRT-LJAQVGFWSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 3.1 nM (pChEMBL 8.510000228881836)
Descriptors: MW 707.87, ALogP 4.05, HBA 9, HBD 2, PSA 165.58, QED 0.24
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CC(=O)N4CCC4)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: ULVKHZMYJHQBBC-NDEPHWFRSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 0.92 nM (pChEMBL 9.039999961853027)
Descriptors: MW 691.83, ALogP 3.42, HBA 9, HBD 2, PSA 165.58, QED 0.28
Compound (SMILES): CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CC(=O)N4CCCC4)CC3)nc(-c3ccccc3)n2)CC1
InChIKey: VRVNIRQVXWYZBB-LJAQVGFWSA-N
Target: P2Y purinoceptor 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H244
Assay: Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
Measurement: Ki = 1.6 nM (pChEMBL 8.800000190734863)
Descriptors: MW 705.86, ALogP 3.81, HBA 9, HBD 2, PSA 165.58, QED 0.28
Compound (SMILES): CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CCN(CCc3ccco3)CC2)cc1
InChIKey: GLXWYQQJFYJTRN-UHFFFAOYSA-N
Target: Mu-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35372
Assay: Displacement of [125I]FK33824 from human cloned mu opioid receptor
Measurement: Ki = 2533 nM (pChEMBL 5.599999904632568)
Descriptors: MW 475.63, ALogP 5.62, HBA 5, HBD 0, PSA 49.16, QED 0.38
Compound (SMILES): CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CCN(CCc3ccoc3)CC2)cc1
InChIKey: QYRIDQULGPNJJZ-UHFFFAOYSA-N
Target: Kappa-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41145
Assay: Displacement of [125I]D-pro10-dynorphin from human cloned kappa opioid receptor
Measurement: Ki = 4985 nM (pChEMBL 5.300000190734863)
Descriptors: MW 475.63, ALogP 5.62, HBA 5, HBD 0, PSA 49.16, QED 0.38