Molecule Details
InChIKeyOQYLKJLEFFUOSP-AFYCESQPSA-N
Compound Name(2'S,3R)-5-methoxy-2'-[3-[(E)-2-[4-[[(2S,6R)-2,4,6-trimethylpiperazin-1-yl]methyl]phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
Canonical SMILESCOc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(CN5[C@H](C)CN(C)C[C@@H]5C)cc4)n[nH]c3c1)C(=O)N2
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.25
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
O00444 PLK4 Homo sapiens Human PF00069 PF18190 PF18409 9.4 IC50 ChEMBL;BindingDB
P11712 CYP2C9 Homo sapiens Human PF00067 6.2 IC50 ChEMBL;BindingDB
P33261 CYP2C19 Homo sapiens Human PF00067 6.1 IC50 ChEMBL;BindingDB