lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CC(C)Cc1cccc(-c2csc(NC(=O)c3ccc(Nc4ccncn4)cc3)n2)c1F
InChIKey: AVFAUXPMMSGRCW-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 = 35 nM (pChEMBL 7.460000038146973)
Descriptors: MW 447.54, ALogP 5.93, HBA 6, HBD 2, PSA 79.8, QED 0.37
Compound (SMILES): COc1cccc(-c2csc(NC(=O)c3ccc(Nc4ccncn4)cc3)n2)c1F
InChIKey: YCTGLFYLERVMCQ-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 = 3130 nM (pChEMBL 5.5)
Descriptors: MW 421.46, ALogP 4.74, HBA 7, HBD 2, PSA 89.03, QED 0.47
Compound (SMILES): O=C(Nc1nc(-c2cccc(OC(F)(F)F)c2F)cs1)c1ccc(Nc2ccncn2)cc1
InChIKey: OYFQARLFQPKSIY-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 = 32 nM (pChEMBL 7.5)
Descriptors: MW 475.43, ALogP 5.63, HBA 7, HBD 2, PSA 89.03, QED 0.35
Compound (SMILES): O=C(Nc1nc(-c2cccc(Cl)c2Cl)cs1)c1ccc(Nc2ccncn2)cc1
InChIKey: OTZPGMOTVARESS-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 = 1340 nM (pChEMBL 5.869999885559082)
Descriptors: MW 442.33, ALogP 5.9, HBA 6, HBD 2, PSA 79.8, QED 0.4
Compound (SMILES): O=C(Nc1nc(-c2ccc(F)cc2F)cs1)c1ccc(Nc2ccncn2)cc1
InChIKey: OZNWPHBJFYYGNK-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 = 173 nM (pChEMBL 6.760000228881836)
Descriptors: MW 409.42, ALogP 4.87, HBA 6, HBD 2, PSA 79.8, QED 0.49
Compound (SMILES): CN1C(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2)NS(C)(=O)=O)N=C(c2ccccc2)c2ccccc21
InChIKey: PEANCRWJJBULSV-QPPBQGQZSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Blockade of human Nav1.7 by FRET assay
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 490.59, ALogP 2.1, HBA 5, HBD 2, PSA 107.94, QED 0.53
Compound (SMILES): O=C(Nc1nc(-c2ccc(Cl)cc2F)cs1)c1ccc(Nc2ccncn2)cc1
InChIKey: BIAWXJBCVSFUFA-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 = 232 nM (pChEMBL 6.630000114440918)
Descriptors: MW 425.88, ALogP 5.39, HBA 6, HBD 2, PSA 79.8, QED 0.45
Compound (SMILES): CC(C)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O
InChIKey: PGQDEINUEDLBRT-BVAGGSTKSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Blockade of human Nav1.7 by FRET assay
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 518.64, ALogP 2.88, HBA 5, HBD 2, PSA 107.94, QED 0.48
Compound (SMILES): CN1C(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)N=C(c2ccccc2)c2ccccc21
InChIKey: NMNCSFDNUCUWFV-UHSQPCAPSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Blockade of human Nav1.7 by FRET assay
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 552.66, ALogP 3.53, HBA 5, HBD 2, PSA 107.94, QED 0.35
Compound (SMILES): CN1C(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2)NCCC(C)(C)C)N=C(c2ccccc2)c2ccccc21
InChIKey: UXBVQTMCEGYSGY-NAKRPHOHSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Blockade of human Nav1.7 by FRET assay
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 496.66, ALogP 4.58, HBA 4, HBD 2, PSA 73.8, QED 0.48
Compound (SMILES): COC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O
InChIKey: FUVFVMOWXCKAEQ-QPPBQGQZSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Blockade of human Nav1.7 by FRET assay
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 470.53, ALogP 2.91, HBA 5, HBD 2, PSA 100.1, QED 0.58
Compound (SMILES): CN1C(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)N=C(c2ccccc2)c2ccccc21
InChIKey: IJRBDAJGQMOJNM-OFSOJUDTSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Blockade of human Nav1.7 by FRET assay
Measurement: IC50 = 150 nM (pChEMBL 6.820000171661377)
Descriptors: MW 546.63, ALogP 4.48, HBA 5, HBD 2, PSA 100.1, QED 0.34
Compound (SMILES): CN1C(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)C2CC2)N=C(c2ccccc2)c2ccccc21
InChIKey: UXAFFSVOBOGVKL-BVAGGSTKSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Blockade of human Nav1.7 by FRET assay
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 480.57, ALogP 3.08, HBA 4, HBD 2, PSA 90.87, QED 0.54
Compound (SMILES): CN1C(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)C(C)(C)C)N=C(c2ccccc2)c2ccccc21
InChIKey: KRDTXXFIMSFRDD-BVAGGSTKSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Blockade of human Nav1.7 by FRET assay
Measurement: IC50 = 380 nM (pChEMBL 6.420000076293945)
Descriptors: MW 496.61, ALogP 3.72, HBA 4, HBD 2, PSA 90.87, QED 0.55
Compound (SMILES): CN1C(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)C23CC4CC(CC(C4)C2)C3)N=C(c2ccccc2)c2ccccc21
InChIKey: RJFVNLNZDFCSRA-WMVJUQKESA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Blockade of human Nav1.7 by FRET assay
Measurement: IC50 = 420 nM (pChEMBL 6.380000114440918)
Descriptors: MW 574.73, ALogP 4.89, HBA 4, HBD 2, PSA 90.87, QED 0.42
Compound (SMILES): O=C(Nc1nc(-c2ccc(C(F)(F)F)cc2F)cs1)c1ccc(Nc2ccncn2)cc1
InChIKey: ZPEIKPVRDQFBAF-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 = 259 nM (pChEMBL 6.590000152587891)
Descriptors: MW 459.43, ALogP 5.75, HBA 6, HBD 2, PSA 79.8, QED 0.37
Compound (SMILES): O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(Nc2ccncn2)cc1
InChIKey: DIMMAFCTMAWZAJ-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 = 510 nM (pChEMBL 6.289999961853027)
Descriptors: MW 442.33, ALogP 5.9, HBA 6, HBD 2, PSA 79.8, QED 0.4
Compound (SMILES): Cc1cc2c(cc1-c1cc(/C=C/C(=O)O)ccc1OCC(F)(F)F)N(C(C)C)C(=O)CC2(C)C
InChIKey: PZJDFZDSIHNULA-VQHVLOKHSA-N
Target: Retinoic acid receptor RXR-alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P19793
Assay: Activity at RXRalpha by GAL4DNA cotransfection assay
Measurement: EC50 = 18.3 nM (pChEMBL 7.739999771118164)
Descriptors: MW 475.51, ALogP 6.12, HBA 3, HBD 1, PSA 66.84, QED 0.51
Compound (SMILES): Cc1ccc(-c2csc(NC(=O)c3ccc(Nc4ccncn4)cc3)n2)c(C)c1
InChIKey: VLVJYJNBPYAETJ-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 = 2260 nM (pChEMBL 5.650000095367432)
Descriptors: MW 401.5, ALogP 5.21, HBA 6, HBD 2, PSA 79.8, QED 0.48
Compound (SMILES): CN1C(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CCc2ccccc21
InChIKey: QQZVXBNEPMPDFW-WOJBJXKFSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Blockade of human Nav1.7 by FRET assay
Measurement: IC50 = 192 nM (pChEMBL 6.71999979019165)
Descriptors: MW 437.54, ALogP 3.22, HBA 4, HBD 2, PSA 87.74, QED 0.75
Compound (SMILES): CN1CCCC[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O
InChIKey: HSABDBZCHRRZOY-IAGOWNOFSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Blockade of human Nav1.7 by FRET assay
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 389.5, ALogP 2.25, HBA 4, HBD 2, PSA 87.74, QED 0.81
Compound (SMILES): COc1cc2c(cc1OCCN(C)C)Cc1c-2n[nH]c1-c1ccc(-c2ccc(O)cc2)cc1
InChIKey: OVZALYIVDHNWMK-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 441.53, ALogP 4.97, HBA 5, HBD 2, PSA 70.61, QED 0.37
Compound (SMILES): CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCc2ccccc2N(CC(F)(F)F)C1=O
InChIKey: ULSOMKMKKHUWGA-WOJBJXKFSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Blockade of human Nav1.7 by FRET assay
Measurement: IC50 = 150 nM (pChEMBL 6.820000171661377)
Descriptors: MW 505.54, ALogP 4.15, HBA 4, HBD 2, PSA 87.74, QED 0.62
Compound (SMILES): COc1cc2c(cc1OCCCN(C)C)Cc1c-2n[nH]c1-c1ccc(-c2ccc(O)cc2)cc1
InChIKey: ZGBMKMLTVBJLOO-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 0.7 nM (pChEMBL 9.149999618530273)
Descriptors: MW 455.56, ALogP 5.36, HBA 5, HBD 2, PSA 70.61, QED 0.31
Compound (SMILES): O=C(Nc1nc(-c2cc(C(F)(F)F)ccc2F)cs1)c1ccc(Nc2ccncn2)cc1
InChIKey: WLBUATDXAKVDPG-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 = 5190 nM (pChEMBL 5.289999961853027)
Descriptors: MW 459.43, ALogP 5.75, HBA 6, HBD 2, PSA 79.8, QED 0.37
Compound (SMILES): CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCc2ccccc2N(CC2CC2)C1=O
InChIKey: IRWNMCDJURTHSX-DHIUTWEWSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Blockade of human Nav1.7 by FRET assay
Measurement: IC50 = 78 nM (pChEMBL 7.110000133514404)
Descriptors: MW 477.61, ALogP 4, HBA 4, HBD 2, PSA 87.74, QED 0.63
Compound (SMILES): COc1cc2c(cc1OCCN1CCCC1)Cc1c-2n[nH]c1-c1ccc(-c2ccc(O)cc2)cc1
InChIKey: DSITZMXZLKPDPI-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 0.8 nM (pChEMBL 9.100000381469727)
Descriptors: MW 467.57, ALogP 5.5, HBA 5, HBD 2, PSA 70.61, QED 0.33
Compound (SMILES): CCN1C(=O)C(C)(C)Oc2cc(C)c(-c3cc(/C(C)=C/C(=O)O)ccc3OC(F)(F)F)cc21
InChIKey: HJTWCLJBRWHWTA-JLHYYAGUSA-N
Target: Retinoic acid receptor RXR-alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P19793
Assay: Activity at RXRalpha by GAL4DNA cotransfection assay
Measurement: EC50 = 61.2 nM (pChEMBL 7.210000038146973)
Descriptors: MW 463.45, ALogP 5.57, HBA 4, HBD 1, PSA 76.07, QED 0.59
Compound (SMILES): COc1cc2c(cc1OCCCN1CCCCC1)Cc1c-2n[nH]c1-c1ccc(-c2ccc(O)cc2)cc1
InChIKey: HTUNAVVSCPDZIQ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 495.62, ALogP 6.28, HBA 5, HBD 2, PSA 70.61, QED 0.25
Compound (SMILES): COc1cc2c(cc1OCCCN1CCOCC1)Cc1c-2n[nH]c1-c1ccc(-c2ccc(O)cc2)cc1
InChIKey: BIOUQQNSXHTKMG-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 497.6, ALogP 5.13, HBA 6, HBD 2, PSA 79.84, QED 0.29
Compound (SMILES): COc1cc2c(cc1OCCCN1CCN(c3cccc(Cl)c3)CC1)Cc1c-2n[nH]c1-c1ccc(-c2ccc(O)cc2)cc1
InChIKey: UYIWWPVGOXBKMR-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 607.15, ALogP 7.27, HBA 6, HBD 2, PSA 73.85, QED 0.17
Compound (SMILES): O=C(Nc1nc(-c2cc(Cl)ccc2O)cs1)c1ccc(Nc2ccncn2)cc1
InChIKey: XGUGWZIFELZLHN-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 423.89, ALogP 4.96, HBA 7, HBD 3, PSA 100.03, QED 0.42
Compound (SMILES): CC(C)N1C(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CCc2ccccc21
InChIKey: CMBXSZAUCLZFJC-FGZHOGPDSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Blockade of human Nav1.7 by FRET assay
Measurement: IC50 = 45 nM (pChEMBL 7.349999904632568)
Descriptors: MW 465.59, ALogP 4, HBA 4, HBD 2, PSA 87.74, QED 0.68
Compound (SMILES): COc1ccc(Cl)cc1-c1csc(NC(=O)c2ccc(Nc3ccncn3)cc2)n1
InChIKey: IGIJXNHGHSMYTP-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 437.91, ALogP 5.26, HBA 7, HBD 2, PSA 89.03, QED 0.43
Compound (SMILES): O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccc(Nc2ccncn2)cc1
InChIKey: IAPQCGYOOKRAMC-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 = 400 nM (pChEMBL 6.400000095367432)
Descriptors: MW 409.42, ALogP 4.87, HBA 6, HBD 2, PSA 79.8, QED 0.49
Compound (SMILES): O=C(Nc1nc(-c2ccc(C(F)(F)F)c(F)c2)cs1)c1ccc(Nc2ccncn2)cc1
InChIKey: YMYRCQOLEGKIOV-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 = 288 nM (pChEMBL 6.539999961853027)
Descriptors: MW 459.43, ALogP 5.75, HBA 6, HBD 2, PSA 79.8, QED 0.37
Compound (SMILES): COc1cc2c(cc1OCc1cccnc1)Cc1c-2n[nH]c1-c1ccc(-c2ccc(O)cc2)cc1
InChIKey: KUMBKWBUHNZTEP-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 18 nM (pChEMBL 7.75)
Descriptors: MW 461.52, ALogP 6, HBA 5, HBD 2, PSA 80.26, QED 0.32
Compound (SMILES): O=C(Nc1nc(-c2ccc(F)c(C(F)(F)F)c2)cs1)c1ccc(Nc2ccncn2)cc1
InChIKey: LPXOUFHVYNPPSB-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 = 104 nM (pChEMBL 6.980000019073486)
Descriptors: MW 459.43, ALogP 5.75, HBA 6, HBD 2, PSA 79.8, QED 0.37
Compound (SMILES): CN1C[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CCc2ccccc21
InChIKey: GIWDTZMWHNQKMS-NHCUHLMSSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Blockade of human Nav1.7 by FRET assay
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 423.56, ALogP 3.69, HBA 4, HBD 2, PSA 70.67, QED 0.77
Compound (SMILES): COc1cc2c(cc1OCCc1ccncc1)Cc1c-2n[nH]c1-c1ccc(-c2ccc(O)cc2)cc1
InChIKey: ACSGZNUYXACVNS-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 475.55, ALogP 6.05, HBA 5, HBD 2, PSA 80.26, QED 0.29
Compound (SMILES): O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccc(Nc2ccncn2)cc1
InChIKey: HSYAEMYEWRBTOP-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 = 347 nM (pChEMBL 6.460000038146973)
Descriptors: MW 442.33, ALogP 5.9, HBA 6, HBD 2, PSA 79.8, QED 0.4
Compound (SMILES): Cc1ccc(-c2csc(NC(=O)c3ccc(Nc4ccncn4)cc3)n2)cc1C
InChIKey: OWSDWQUQIIZEPS-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 = 784 nM (pChEMBL 6.110000133514404)
Descriptors: MW 401.5, ALogP 5.21, HBA 6, HBD 2, PSA 79.8, QED 0.48
Compound (SMILES): COc1cc2c(cc1OCCc1ccccn1)Cc1c-2n[nH]c1-c1ccc(-c2ccc(O)cc2)cc1
InChIKey: QTZSKKLWQAYZOW-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 30 nM (pChEMBL 7.519999980926514)
Descriptors: MW 475.55, ALogP 6.05, HBA 5, HBD 2, PSA 80.26, QED 0.29
Compound (SMILES): O=C(Nc1nc(-c2c(F)cccc2F)cs1)c1ccc(Nc2ccncn2)cc1
InChIKey: QIOKNXYOGAVIRC-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 409.42, ALogP 4.87, HBA 6, HBD 2, PSA 79.8, QED 0.49
Compound (SMILES): CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCc2ccccc2N(CC(F)(F)F)C1
InChIKey: CBNZBDNEWBXBGA-NHCUHLMSSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Blockade of human Nav1.7 by FRET assay
Measurement: IC50 = 145 nM (pChEMBL 6.840000152587891)
Descriptors: MW 491.55, ALogP 4.62, HBA 4, HBD 2, PSA 70.67, QED 0.62
Compound (SMILES): O=C(Nc1nc(-c2cccc(C(F)(F)F)n2)cs1)c1ccc(Nc2ccncn2)cc1
InChIKey: FKPZTHGAFNXVNA-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 = 244 nM (pChEMBL 6.610000133514404)
Descriptors: MW 442.43, ALogP 5.01, HBA 7, HBD 2, PSA 92.69, QED 0.45
Compound (SMILES): COc1cc2c(cc1CCOCCCc1cccc(C)n1)Cc1c-2n[nH]c1-c1ccc(-c2ccc(O)cc2)cc1
InChIKey: DDKDNGFEUPQGPM-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 62 nM (pChEMBL 7.210000038146973)
Descriptors: MW 531.66, ALogP 6.92, HBA 5, HBD 2, PSA 80.26, QED 0.19
Compound (SMILES): O=C(Nc1nc(-c2ccc(F)c(F)c2F)cs1)c1ccc(Nc2ccncn2)cc1
InChIKey: HKRLBAXKTBQJLR-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 = 84 nM (pChEMBL 7.079999923706055)
Descriptors: MW 427.41, ALogP 5.01, HBA 6, HBD 2, PSA 79.8, QED 0.44
Compound (SMILES): COc1cc2c(cc1OC(CO)CO)Cc1c-2n[nH]c1-c1ccc(-c2ccc(O)cc2)cc1
InChIKey: YPVUJZZWOGFNPI-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 < 0.1 nM (pChEMBL 10)
Descriptors: MW 444.49, ALogP 3.76, HBA 6, HBD 4, PSA 107.83, QED 0.3
Compound (SMILES): O=C(Nc1nc(-c2ccc(C(F)(F)F)c(F)c2F)cs1)c1ccc(Nc2ccncn2)cc1
InChIKey: UUMGJFJGZOIDII-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 = 87 nM (pChEMBL 7.059999942779541)
Descriptors: MW 477.42, ALogP 5.89, HBA 6, HBD 2, PSA 79.8, QED 0.35
Compound (SMILES): O=C(Nc1nc(-c2ccc(F)c(C(F)(F)F)c2F)cs1)c1ccc(Nc2ccncn2)cc1
InChIKey: SYIXSYVLTFSTAU-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 = 33 nM (pChEMBL 7.480000019073486)
Descriptors: MW 477.42, ALogP 5.89, HBA 6, HBD 2, PSA 79.8, QED 0.35
Compound (SMILES): CC(C)(C)OC(=O)N[C@@H](CN[C@@H]1CCc2ccccc2N(CC(F)(F)F)C1=O)Cc1ccccc1
InChIKey: RRGBUCHXXDEITC-NHCUHLMSSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Blockade of human Nav1.7 by FRET assay
Measurement: IC50 = 885 nM (pChEMBL 6.050000190734863)
Descriptors: MW 491.55, ALogP 4.62, HBA 4, HBD 2, PSA 70.67, QED 0.59
Compound (SMILES): COc1cc2c(cc1OC[C@@H](O)CO)Cc1c-2n[nH]c1-c1ccc(-c2ccc(O)cc2)cc1
InChIKey: PRDQUWAZRMHOPI-FQEVSTJZSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 0.1 nM (pChEMBL 10)
Descriptors: MW 444.49, ALogP 3.76, HBA 6, HBD 4, PSA 107.83, QED 0.3
Compound (SMILES): COc1cc2c(cc1OC1CCOCC1)Cc1c-2n[nH]c1-c1ccc(-c2ccc(O)cc2)cc1
InChIKey: UNUZGFSCYHMKEC-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 0.2 nM (pChEMBL 9.699999809265137)
Descriptors: MW 454.53, ALogP 5.59, HBA 5, HBD 2, PSA 76.6, QED 0.36
Compound (SMILES): COc1cc2c(cc1OC[C@H]1CC=CCC1)Cc1c-2n[nH]c1-c1ccc(-c2ccc(O)cc2)cc1
InChIKey: RSCVFAGYHDBILS-IBGZPJMESA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 0.7 nM (pChEMBL 9.149999618530273)
Descriptors: MW 464.57, ALogP 6.76, HBA 4, HBD 2, PSA 67.37, QED 0.27
Compound (SMILES): O=C(Nc1nc(-c2c(Cl)cc(C(F)(F)F)cc2Cl)cs1)c1ccc(Nc2ccncn2)cc1
InChIKey: SOVFBPQLCBEYEO-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 510.33, ALogP 6.92, HBA 6, HBD 2, PSA 79.8, QED 0.3
Compound (SMILES): COc1cc2c(cc1OC(C)CN(C)C)Cc1c-2n[nH]c1-c1ccc(-c2ccc(O)cc2)cc1
InChIKey: GFYNXINBWJQWGQ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 455.56, ALogP 5.36, HBA 5, HBD 2, PSA 70.61, QED 0.35
Compound (SMILES): COc1cc2c(cc1OCC[C@@H]1CCCN1)Cc1c-2n[nH]c1-c1ccc(-c2ccc(O)cc2)cc1
InChIKey: QRXLMNSDDWLJFR-QFIPXVFZSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 467.57, ALogP 5.55, HBA 5, HBD 3, PSA 79.4, QED 0.29
Compound (SMILES): COc1cc2c(cc1OCCN1CCCCC1)Cc1c-2n[nH]c1-c1ccc(-c2ccc(O)cc2)cc1
InChIKey: VWNBOAKPBRKOBS-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 481.6, ALogP 5.89, HBA 5, HBD 2, PSA 70.61, QED 0.3
Compound (SMILES): CC(C)N1C(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2F)NC(=O)OC(C)(C)C)CCc2ccccc21
InChIKey: HXROZKYKRUBOCX-FGZHOGPDSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Blockade of human Nav1.7 by FRET assay
Measurement: IC50 = 44 nM (pChEMBL 7.360000133514404)
Descriptors: MW 483.58, ALogP 4.13, HBA 4, HBD 2, PSA 87.74, QED 0.65
Compound (SMILES): CC(C)N1C(=O)[C@H](NC(=O)[C@@H](Cc2cccc(F)c2)NC(=O)OC(C)(C)C)CCc2ccccc21
InChIKey: ZWKDMVOKCPXQBW-FGZHOGPDSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Blockade of human Nav1.7 by FRET assay
Measurement: IC50 = 9 nM (pChEMBL 8.050000190734863)
Descriptors: MW 483.58, ALogP 4.13, HBA 4, HBD 2, PSA 87.74, QED 0.65
Compound (SMILES): COc1cc2c(cc1OCCN1CCOCC1)Cc1c-2n[nH]c1-c1ccc(-c2ccc(O)cc2)cc1
InChIKey: WPWXKKMRDHQGBL-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 483.57, ALogP 4.74, HBA 6, HBD 2, PSA 79.84, QED 0.35
Compound (SMILES): CC(C)N1C(=O)[C@H](NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)OC(C)(C)C)CCc2ccccc21
InChIKey: LNARVUZMBRCTJM-FGZHOGPDSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Blockade of human Nav1.7 by FRET assay
Measurement: IC50 = 98 nM (pChEMBL 7.010000228881836)
Descriptors: MW 483.58, ALogP 4.13, HBA 4, HBD 2, PSA 87.74, QED 0.65
Compound (SMILES): COc1cc2c(cc1OCCCN1CCN(c3ccccc3OC)CC1)Cc1c-2n[nH]c1-c1ccc(-c2ccc(O)cc2)cc1
InChIKey: AMYBJHMUONETNW-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 25 nM (pChEMBL 7.599999904632568)
Descriptors: MW 602.74, ALogP 6.63, HBA 7, HBD 2, PSA 83.08, QED 0.17
Compound (SMILES): CC(C)N1C(=O)[C@H](NC(=O)[C@@H](Cc2cc(F)ccc2F)NC(=O)OC(C)(C)C)CCc2ccccc21
InChIKey: HEMMPJBFWMJXLO-FGZHOGPDSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Blockade of human Nav1.7 by FRET assay
Measurement: IC50 = 23 nM (pChEMBL 7.639999866485596)
Descriptors: MW 501.57, ALogP 4.27, HBA 4, HBD 2, PSA 87.74, QED 0.62
Compound (SMILES): CC(C)N1C(=O)[C@H](NC(=O)[C@@H](Cc2c(F)cccc2F)NC(=O)OC(C)(C)C)CCc2ccccc21
InChIKey: YALMTJOCIGQSJL-FGZHOGPDSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Blockade of human Nav1.7 by FRET assay
Measurement: IC50 = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 501.57, ALogP 4.27, HBA 4, HBD 2, PSA 87.74, QED 0.62
Compound (SMILES): CC(C)N1C(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2C(F)(F)F)NC(=O)OC(C)(C)C)CCc2ccccc21
InChIKey: COROHZOROOCFRM-FGZHOGPDSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Blockade of human Nav1.7 by FRET assay
Measurement: IC50 = 137 nM (pChEMBL 6.860000133514404)
Descriptors: MW 533.59, ALogP 5.01, HBA 4, HBD 2, PSA 87.74, QED 0.55
Compound (SMILES): CC(C)N1C(=O)[C@H](NC(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)NC(=O)OC(C)(C)C)CCc2ccccc21
InChIKey: KNJQFZASBAPYRN-FGZHOGPDSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Blockade of human Nav1.7 by FRET assay
Measurement: IC50 = 295 nM (pChEMBL 6.53000020980835)
Descriptors: MW 533.59, ALogP 5.01, HBA 4, HBD 2, PSA 87.74, QED 0.55
Compound (SMILES): CC(C)N1C(=O)[C@H](NC(=O)[C@@H](Cc2ccc(C(F)(F)F)cc2)NC(=O)OC(C)(C)C)CCc2ccccc21
InChIKey: NUZKGVCCXGSDLR-FGZHOGPDSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Blockade of human Nav1.7 by FRET assay
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 533.59, ALogP 5.01, HBA 4, HBD 2, PSA 87.74, QED 0.55
Compound (SMILES): COc1cc2c(cc1OCc1ccncc1)Cc1c-2n[nH]c1-c1ccc(-c2ccc(O)cc2)cc1
InChIKey: ZJWVBMRUCRPIMF-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 461.52, ALogP 6, HBA 5, HBD 2, PSA 80.26, QED 0.32
Compound (SMILES): CC(C)N1C(=O)[C@H](NC(=O)[C@@H](Cc2cccc(F)c2C(F)(F)F)NC(=O)OC(C)(C)C)CCc2ccccc21
InChIKey: SSLUYBNMMZMXPZ-NHCUHLMSSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Blockade of human Nav1.7 by FRET assay
Measurement: IC50 = 65 nM (pChEMBL 7.190000057220459)
Descriptors: MW 551.58, ALogP 5.15, HBA 4, HBD 2, PSA 87.74, QED 0.49
Compound (SMILES): CC(C)N1C(=O)[C@H](NC(=O)[C@@H](Cc2c(F)cccc2C(F)(F)F)NC(=O)OC(C)(C)C)CCc2ccccc21
InChIKey: GCNBHLMIBIUQQO-FGZHOGPDSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Blockade of human Nav1.7 by FRET assay
Measurement: IC50 = 32 nM (pChEMBL 7.5)
Descriptors: MW 551.58, ALogP 5.15, HBA 4, HBD 2, PSA 87.74, QED 0.49
Compound (SMILES): COc1cc2c(cc1OCc1ccccn1)Cc1c-2n[nH]c1-c1ccc(-c2ccc(O)cc2)cc1
InChIKey: KUDOZNFQKYGYOJ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 20 nM (pChEMBL 7.699999809265137)
Descriptors: MW 461.52, ALogP 6, HBA 5, HBD 2, PSA 80.26, QED 0.32
Compound (SMILES): CC(C)N1C(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)OC(C)(C)C)CCc2ccccc21
InChIKey: JDORNNHHHQXMCA-NHCUHLMSSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Blockade of human Nav1.7 by FRET assay
Measurement: IC50 = 35 nM (pChEMBL 7.460000038146973)
Descriptors: MW 549.59, ALogP 4.89, HBA 5, HBD 2, PSA 96.97, QED 0.51
Compound (SMILES): CC(C)N1C(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)OC(C)(C)C)CCc2ccccc21
InChIKey: JDORNNHHHQXMCA-LEWJYISDSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Blockade of human Nav1.7 by FRET assay
Measurement: IC50 = 32 nM (pChEMBL 7.5)
Descriptors: MW 549.59, ALogP 4.89, HBA 5, HBD 2, PSA 96.97, QED 0.51
Compound (SMILES): COc1cc2c(cc1OCCc1cccnc1)Cc1c-2n[nH]c1-c1ccc(-c2ccc(O)cc2)cc1
InChIKey: UQMHKSUICKGFCI-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 13 nM (pChEMBL 7.889999866485596)
Descriptors: MW 475.55, ALogP 6.05, HBA 5, HBD 2, PSA 80.26, QED 0.29
Compound (SMILES): CC(C)N1C(=O)[C@H](NC(=O)[C@H](Cc2ccccc2OC(F)(F)F)NC(=O)OC(C)(C)C)CCc2ccccc21
InChIKey: JDORNNHHHQXMCA-RTWAWAEBSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Blockade of human Nav1.7 by FRET assay
Measurement: IC50 = 214 nM (pChEMBL 6.670000076293945)
Descriptors: MW 549.59, ALogP 4.89, HBA 5, HBD 2, PSA 96.97, QED 0.51
Compound (SMILES): CCc1ccc(CCOc2cc3c(cc2OC)-c2n[nH]c(-c4ccc(-c5ccc(O)cc5)cc4)c2C3)nc1
InChIKey: JEVGZWNOZXXJPR-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 23 nM (pChEMBL 7.639999866485596)
Descriptors: MW 503.6, ALogP 6.61, HBA 5, HBD 2, PSA 80.26, QED 0.24
Compound (SMILES): COc1cc2c(cc1OCCn1ccnc1)Cc1c-2n[nH]c1-c1ccc(-c2ccc(O)cc2)cc1
InChIKey: OITGCVKJAVFEHR-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 464.53, ALogP 5.3, HBA 6, HBD 2, PSA 85.19, QED 0.33
Compound (SMILES): COc1cc2c(cc1OC[C@H](O)CO)Cc1c-2n[nH]c1-c1ccc(-c2ccc(O)cc2)cc1
InChIKey: PRDQUWAZRMHOPI-HXUWFJFHSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 0.1 nM (pChEMBL 10)
Descriptors: MW 444.49, ALogP 3.76, HBA 6, HBD 4, PSA 107.83, QED 0.3
Compound (SMILES): COc1cc2c(cc1OCC1CCOC1)Cc1c-2n[nH]c1-c1ccc(-c2ccc(O)cc2)cc1
InChIKey: ZBWZDOSXEYRQTN-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 0.8 nM (pChEMBL 9.100000381469727)
Descriptors: MW 454.53, ALogP 5.44, HBA 5, HBD 2, PSA 76.6, QED 0.36
Compound (SMILES): COc1cc2c(cc1OC1CCOC1)Cc1c-2n[nH]c1-c1ccc(-c2ccc(O)cc2)cc1
InChIKey: CWDWRDQNURSFTQ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 0.4 nM (pChEMBL 9.399999618530273)
Descriptors: MW 440.5, ALogP 5.2, HBA 5, HBD 2, PSA 76.6, QED 0.39
Compound (SMILES): COc1cc2c(cc1O)Cc1c-2n[nH]c1-c1ccc(-c2ccc(O)cc2)cc1
InChIKey: STCNWCXIIURNLZ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 370.41, ALogP 4.73, HBA 4, HBD 3, PSA 78.37, QED 0.43
Compound (SMILES): COc1cc2c(cc1O)-c1n[nH]c(-c3ccc(-c4ccc(O)cc4)cc3)c1C2
InChIKey: DZQSMOOQLBUCRF-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 370.41, ALogP 4.73, HBA 4, HBD 3, PSA 78.37, QED 0.43
Compound (SMILES): COc1cc2c(cc1OCCN(C)C)-c1n[nH]c(-c3ccc(-c4ccc(O)cc4)cc3)c1C2
InChIKey: AXHRJPYHEHMNLM-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 0.8 nM (pChEMBL 9.100000381469727)
Descriptors: MW 441.53, ALogP 4.97, HBA 5, HBD 2, PSA 70.61, QED 0.37
Compound (SMILES): COc1cc2c(cc1OC(C)CN(C)C)-c1n[nH]c(-c3ccc(-c4ccc(O)cc4)cc3)c1C2
InChIKey: GXDVOCAQXRBIOB-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 455.56, ALogP 5.36, HBA 5, HBD 2, PSA 70.61, QED 0.35
Compound (SMILES): COc1cc2c(cc1OCC(C)CN(C)C)-c1n[nH]c(-c3ccc(-c4ccc(O)cc4)cc3)c1C2
InChIKey: MTCAJDXXBBRYTM-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 0.6 nM (pChEMBL 9.220000267028809)
Descriptors: MW 469.59, ALogP 5.61, HBA 5, HBD 2, PSA 70.61, QED 0.31
Compound (SMILES): COc1cc2c(cc1OCCN1CCCC1)-c1n[nH]c(-c3ccc(-c4ccc(O)cc4)cc3)c1C2
InChIKey: WXISLNLULYAGJH-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 467.57, ALogP 5.5, HBA 5, HBD 2, PSA 70.61, QED 0.33
Compound (SMILES): COc1cc2c(cc1OCCC1CCCN1C)-c1n[nH]c(-c3ccc(-c4ccc(O)cc4)cc3)c1C2
InChIKey: QIQYSYJIMBUMTA-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 0.8 nM (pChEMBL 9.100000381469727)
Descriptors: MW 481.6, ALogP 5.89, HBA 5, HBD 2, PSA 70.61, QED 0.3
Compound (SMILES): O=C(Nc1nc(-c2cccc(C(F)(F)F)c2F)cs1)c1ccc(Nc2ccccc2)cc1
InChIKey: MEOWPBXXYKYZSB-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 457.45, ALogP 6.96, HBA 4, HBD 2, PSA 54.02, QED 0.32
Compound (SMILES): O=C(Nc1nc(-c2cccc(C(F)(F)F)c2F)cs1)c1ccc(Nc2ccccn2)cc1
InChIKey: ZETDMXNETULBJM-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 = 2200 nM (pChEMBL 5.659999847412109)
Descriptors: MW 458.44, ALogP 6.36, HBA 5, HBD 2, PSA 66.91, QED 0.34
Compound (SMILES): COc1cc2c(cc1OCCCN1CCN(C)CC1)-c1n[nH]c(-c3ccc(-c4ccc(O)cc4)cc3)c1C2
InChIKey: BHCKUUPDUJETME-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 0.2 nM (pChEMBL 9.699999809265137)
Descriptors: MW 510.64, ALogP 5.05, HBA 6, HBD 2, PSA 73.85, QED 0.28
Compound (SMILES): O=C(Nc1nc(-c2cccc(C(F)(F)F)c2F)cs1)c1ccc(Nc2cccnc2)cc1
InChIKey: HRAHRSXQOVQKST-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 = 8600 nM (pChEMBL 5.070000171661377)
Descriptors: MW 458.44, ALogP 6.36, HBA 5, HBD 2, PSA 66.91, QED 0.34
Compound (SMILES): CCN1CCCC(Oc2cc3c(cc2OC)Cc2c-3n[nH]c2-c2ccc(-c3ccc(O)cc3)cc2)C1
InChIKey: WRHZCCZUASIHNU-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 0.6 nM (pChEMBL 9.220000267028809)
Descriptors: MW 481.6, ALogP 5.89, HBA 5, HBD 2, PSA 70.61, QED 0.32
Compound (SMILES): O=C(Nc1nc(-c2cccc(C(F)(F)F)c2F)cs1)c1ccc(Nc2ccncc2)cc1
InChIKey: DLAYCJBYBGIRHS-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 = 400 nM (pChEMBL 6.400000095367432)
Descriptors: MW 458.44, ALogP 6.36, HBA 5, HBD 2, PSA 66.91, QED 0.34
Compound (SMILES): COc1cc2c(cc1OCCN1CCOCC1)-c1n[nH]c(-c3ccc(-c4ccc(O)cc4)cc3)c1C2
InChIKey: BTEIVZYLOUVYMV-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 483.57, ALogP 4.74, HBA 6, HBD 2, PSA 79.84, QED 0.35
Compound (SMILES): O=C(Nc1nc(-c2cccc(C(F)(F)F)c2F)cs1)c1ccc(Nc2cnccn2)cc1
InChIKey: WWLDEILFJZGVDA-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 = 7900 nM (pChEMBL 5.099999904632568)
Descriptors: MW 459.43, ALogP 5.75, HBA 6, HBD 2, PSA 79.8, QED 0.37
Compound (SMILES): O=C(Nc1nc(-c2cccc(C(F)(F)F)c2F)cs1)c1ccc(Nc2ncccn2)cc1
InChIKey: DDAKCORZDZDGOE-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 = 7700 nM (pChEMBL 5.110000133514404)
Descriptors: MW 459.43, ALogP 5.75, HBA 6, HBD 2, PSA 79.8, QED 0.37
Compound (SMILES): CCN(CC)CC(CN(CC)CC)Oc1cc2c(cc1OC)Cc1c-2n[nH]c1-c1ccc(-c2ccc(O)cc2)cc1
InChIKey: BFECSLWLENZVIT-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 554.74, ALogP 6.46, HBA 6, HBD 2, PSA 73.85, QED 0.17
Compound (SMILES): O=C(Nc1nc(-c2cccc(C(F)(F)F)c2F)cs1)c1ccc(Nc2cncnc2)cc1
InChIKey: NIIPSDAKXQCJQI-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 = 320 nM (pChEMBL 6.5)
Descriptors: MW 459.43, ALogP 5.75, HBA 6, HBD 2, PSA 79.8, QED 0.37
Compound (SMILES): COc1cc2c(cc1OCCCN1CCN(c3cccc(Cl)c3)CC1)-c1n[nH]c(-c3ccc(-c4ccc(O)cc4)cc3)c1C2
InChIKey: OJNLSYWAXFMMKJ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 607.15, ALogP 7.27, HBA 6, HBD 2, PSA 73.85, QED 0.17
Compound (SMILES): O=C(Nc1nc(-c2cccc(C(F)(F)F)c2F)cs1)c1ccc(Nc2cccnn2)cc1
InChIKey: KNJGLDCDRLQILE-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 459.43, ALogP 5.75, HBA 6, HBD 2, PSA 79.8, QED 0.37
Compound (SMILES): O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(Nc2ccnnc2)cc1
InChIKey: JLBQLIKPFZZUTC-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 = 1600 nM (pChEMBL 5.800000190734863)
Descriptors: MW 407.89, ALogP 5.25, HBA 6, HBD 2, PSA 79.8, QED 0.47
Compound (SMILES): COc1cc2c(cc1OCCn1ccnc1)-c1n[nH]c(-c3ccc(-c4ccc(O)cc4)cc3)c1C2
InChIKey: ZKBYEVQCGSMJOU-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 464.53, ALogP 5.3, HBA 6, HBD 2, PSA 85.19, QED 0.33
Compound (SMILES): O=C(Nc1nc(-c2ccc(F)cc2F)cs1)c1ccc(Nc2ccnnc2)cc1
InChIKey: SZEBSUJFKNNMDQ-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 = 550 nM (pChEMBL 6.260000228881836)
Descriptors: MW 409.42, ALogP 4.87, HBA 6, HBD 2, PSA 79.8, QED 0.49
Compound (SMILES): O=C(Nc1nc(-c2cccc(C(F)(F)F)c2F)cs1)c1ccc(Nc2ccnnc2)cc1
InChIKey: YBLKEDTWJRWFQW-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 = 120 nM (pChEMBL 6.920000076293945)
Descriptors: MW 459.43, ALogP 5.75, HBA 6, HBD 2, PSA 79.8, QED 0.37
Compound (SMILES): O=C(Nc1nc(-c2ccc(F)c(C(F)(F)F)c2)cs1)c1ccc(Nc2ccnnc2)cc1
InChIKey: ZZFKALBUMADZPS-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 = 400 nM (pChEMBL 6.400000095367432)
Descriptors: MW 459.43, ALogP 5.75, HBA 6, HBD 2, PSA 79.8, QED 0.37
Compound (SMILES): COc1cc2c(cc1OCc1ccccn1)-c1n[nH]c(-c3ccc(-c4ccc(O)cc4)cc3)c1C2
InChIKey: OOPFZNAWCNUMFW-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 24 nM (pChEMBL 7.619999885559082)
Descriptors: MW 461.52, ALogP 6, HBA 5, HBD 2, PSA 80.26, QED 0.32
Compound (SMILES): O=C(Nc1nc(-c2cccc(C(F)(F)F)c2F)cs1)c1ccc(Nc2ncncn2)cc1
InChIKey: VNJQDYIQGDBZLR-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 = 540 nM (pChEMBL 6.269999980926514)
Descriptors: MW 460.42, ALogP 5.15, HBA 7, HBD 2, PSA 92.69, QED 0.4
Compound (SMILES): COc1cc2c(cc1OCc1cccnc1)-c1n[nH]c(-c3ccc(-c4ccc(O)cc4)cc3)c1C2
InChIKey: BGNLCSQBZBYZEH-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 23 nM (pChEMBL 7.639999866485596)
Descriptors: MW 461.52, ALogP 6, HBA 5, HBD 2, PSA 80.26, QED 0.32
Compound (SMILES): O=C(Nc1nc(-c2cccc(C(F)(F)F)c2F)cs1)c1ccc(Nc2nccnn2)cc1
InChIKey: JDGJTAHXNVZBED-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 460.42, ALogP 5.15, HBA 7, HBD 2, PSA 92.69, QED 0.4
Compound (SMILES): COc1cc2c(cc1OCc1ccncc1)-c1n[nH]c(-c3ccc(-c4ccc(O)cc4)cc3)c1C2
InChIKey: SUVZXJSQIUQGSE-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 36 nM (pChEMBL 7.440000057220459)
Descriptors: MW 461.52, ALogP 6, HBA 5, HBD 2, PSA 80.26, QED 0.32
Compound (SMILES): CN(c1ccc(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3F)cs2)cc1)c1ccncn1
InChIKey: NNDLJSHLMCNGDK-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 473.45, ALogP 5.78, HBA 6, HBD 1, PSA 71.01, QED 0.37
Compound (SMILES): O=C(Nc1nc(-c2cccc(C(F)(F)F)c2F)cs1)c1ccc(Oc2ccncn2)cc1
InChIKey: MPUCNDPOFVCYOR-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 460.41, ALogP 5.8, HBA 6, HBD 1, PSA 77, QED 0.38
Compound (SMILES): COc1cc2c(cc1OC(=O)NCCN(C)C)-c1n[nH]c(-c3ccc(-c4ccc(O)cc4)cc3)c1C2
InChIKey: CCLXOPFTOAZULB-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 40 nM (pChEMBL 7.400000095367432)
Descriptors: MW 484.56, ALogP 4.68, HBA 6, HBD 3, PSA 99.71, QED 0.31
Compound (SMILES): CN(C(=O)c1ccc(Nc2ccncn2)cc1)c1nc(-c2cccc(C(F)(F)F)c2F)cs1
InChIKey: OCXXNJBGCUCHQO-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 473.45, ALogP 5.78, HBA 6, HBD 1, PSA 71.01, QED 0.37
Compound (SMILES): Cc1nccc(Nc2ccc(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4F)cs3)cc2)n1
InChIKey: NAYIJRRBEWATFX-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 473.46, ALogP 6.06, HBA 6, HBD 2, PSA 79.8, QED 0.34
Compound (SMILES): Cc1cc(Nc2ccc(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4F)cs3)cc2)ncn1
InChIKey: QVHFGIIUSKUDFI-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 = 43 nM (pChEMBL 7.369999885559082)
Descriptors: MW 473.46, ALogP 6.06, HBA 6, HBD 2, PSA 79.8, QED 0.34
Compound (SMILES): COc1cc2c(cc1OC(=O)NCCN1CCCC1)-c1n[nH]c(-c3ccc(-c4ccc(O)cc4)cc3)c1C2
InChIKey: RBSDCFRNXNBDJU-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 21 nM (pChEMBL 7.679999828338623)
Descriptors: MW 510.59, ALogP 5.21, HBA 6, HBD 3, PSA 99.71, QED 0.28
Compound (SMILES): Cc1cc(Nc2ccc(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4F)cs3)cc2)nc(C)n1
InChIKey: GGPVDPFUOGOOCN-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 487.48, ALogP 6.37, HBA 6, HBD 2, PSA 79.8, QED 0.32
Compound (SMILES): COc1cc2c(cc1OC(=O)NCCN1CCOCC1)-c1n[nH]c(-c3ccc(-c4ccc(O)cc4)cc3)c1C2
InChIKey: HCHFFQQEOOVPBM-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 74 nM (pChEMBL 7.130000114440918)
Descriptors: MW 526.59, ALogP 4.45, HBA 7, HBD 3, PSA 108.94, QED 0.29
Compound (SMILES): COc1cc(Nc2ccc(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4F)cs3)cc2)ncn1
InChIKey: GGCIIQXBBQNDKK-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 = 38 nM (pChEMBL 7.420000076293945)
Descriptors: MW 489.45, ALogP 5.76, HBA 7, HBD 2, PSA 89.03, QED 0.33
Compound (SMILES): CN(C)c1cc(Nc2ccc(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4F)cs3)cc2)ncn1
InChIKey: IUAKFNKCUQYXHJ-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 = 54 nM (pChEMBL 7.269999980926514)
Descriptors: MW 502.5, ALogP 5.82, HBA 7, HBD 2, PSA 83.04, QED 0.32
Compound (SMILES): COc1cc2c(cc1OC(=O)NCc1ccccn1)-c1n[nH]c(-c3ccc(-c4ccc(O)cc4)cc3)c1C2
InChIKey: OGZZISWKCYUIJO-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 48 nM (pChEMBL 7.320000171661377)
Descriptors: MW 504.55, ALogP 5.71, HBA 6, HBD 3, PSA 109.36, QED 0.27
Compound (SMILES): CCNc1cc(Nc2ccc(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4F)cs3)cc2)ncn1
InChIKey: BRMZWRZGFPCVLB-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 = 130 nM (pChEMBL 6.889999866485596)
Descriptors: MW 502.5, ALogP 6.19, HBA 7, HBD 3, PSA 91.83, QED 0.26
Compound (SMILES): COc1cc2c(cc1OC(F)(F)F)-c1n[nH]c(-c3ccc(-c4ccc(O)cc4)cc3)c1C2
InChIKey: CIMJQWAHNBCGHY-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Inhibition of Chk1
Measurement: IC50 = 290 nM (pChEMBL 6.539999961853027)
Descriptors: MW 438.41, ALogP 5.93, HBA 4, HBD 2, PSA 67.37, QED 0.37
Compound (SMILES): O=C(Nc1nc(-c2cccc(C(F)(F)F)c2F)cs1)c1ccc(Nc2cc(NCCO)ncn2)cc1
InChIKey: SVGQXNOYODLECF-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 = 65 nM (pChEMBL 7.190000057220459)
Descriptors: MW 518.5, ALogP 5.16, HBA 8, HBD 4, PSA 112.06, QED 0.24
Compound (SMILES): CN(CCO)c1cc(Nc2ccc(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4F)cs3)cc2)ncn1
InChIKey: YKWUFQRWIXUJTF-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 = 22 nM (pChEMBL 7.659999847412109)
Descriptors: MW 532.52, ALogP 5.18, HBA 8, HBD 3, PSA 103.27, QED 0.27
Compound (SMILES): COCCN(C)c1cc(Nc2ccc(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4F)cs3)cc2)ncn1
InChIKey: ZJILDGXZYULAJU-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
Measurement: EC50 = 84 nM (pChEMBL 7.079999923706055)
Descriptors: MW 546.55, ALogP 5.84, HBA 8, HBD 2, PSA 92.27, QED 0.26