Molecule Details
InChIKeyJITNHYKCFBSHCI-IBGZPJMESA-N
Compound Name(S)-N1-(5-(3-methylisoquinolin-6-yl)-1,3,4-thiadiazol-2-yl)-3-(4-(trifluoromethyl)phenyl)propane-1,2-diamine
Canonical SMILESCc1cc2cc(-c3nnc(NC[C@@H](N)Cc4ccc(C(F)(F)F)cc4)s3)ccc2cn1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)2
Pfam Stratification Homologous
Avg pChEMBL6.38
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
P31749 AKT1 Homo sapiens Human PF00169 PF00069 PF00433 6.5 IC50 ChEMBL;BindingDB
P24941 CDK2 Homo sapiens Human PF00069 6.2 pIC50 TTD_MultiTarget