Molecule Details
InChIKeyDXJRWWRZZPRGJB-NVQXNPDNSA-N
Compound Name4-[1-Amino-1-(3-methyl-3H-imidazol-4-yl)-ethyl]-2-[3-(1-methyl-2-oxo-azepan-3-yl)-phenoxy]-benzonitrile
Canonical SMILESCN1CCCC[C@@H](c2cccc(Oc3cc([C@](C)(N)c4cncn4C)ccc3C#N)c2)C1=O
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.65
SourceChEMBL;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P49354 FNTA Homo sapiens Human PF01239 8.0 pIC50 TTD_MultiTarget
P49356 FNTB Homo sapiens Human PF00432 8.0 IC50 ChEMBL
P53609 PGGT1B Homo sapiens Human PF00432 7.0 IC50 ChEMBL