Molecule Details
InChIKeyFDJQQPZQIBTWLE-KPGMTVGESA-N
Compound NameN-[3-[2-[(2E)-2-benzylidenehydrazinyl]-2-oxoethyl]sulfanyl-5-[[2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]-1,2,4-triazol-4-yl]-4-chlorobenzamide
Canonical SMILESO=C(CSc1nnc(Cc2c(NC(=O)CCl)sc3c2CCCC3)n1NC(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)4
Pfam Stratification Cross-Family
Avg pChEMBL7.39
SourceChEMBL
2D Structure
2D structure
Activity Profile
Target Activities (4)
Target Gene Organism Category Pfam pChEMBL Type Source
Q00535 CDK5 Homo sapiens Human PF00069 7.5 IC50 ChEMBL
Q15078 CDK5R1 Homo sapiens Human PF03261 7.5 IC50 ChEMBL
P24864 CCNE1 Homo sapiens Human PF02984 PF00134 7.3 IC50 ChEMBL
P24941 CDK2 Homo sapiens Human PF00069 7.3 IC50 ChEMBL