Molecule Details
InChIKeyUULNNXNBBBWXDG-SJLPKXTDSA-N
Compound NameN-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxy-3-(trifluoromethyl)phenyl]prop-2-enamide
Canonical SMILESC=CC(=O)Nc1ccc(O[C@@H]2CCC[C@@H](Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)c(C(F)(F)F)c1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL6.48
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P24941 CDK2 Homo sapiens Human PF00069 6.6 IC50 ChEMBL;BindingDB
P50750 CDK9 Homo sapiens Human PF00069 6.5 IC50 ChEMBL;BindingDB
P50613 CDK7 Homo sapiens Human PF00069 6.3 IC50 ChEMBL;BindingDB