Molecule Details
InChIKeyKMNYYAJYASNHCC-SANMLTNESA-N
Compound Name2-[3-[(3S)-3-ethyl-1-methyl-2-oxoazepan-3-yl]phenoxy]-4-(imidazol-1-ylmethyl)benzonitrile
Canonical SMILESCC[C@@]1(c2cccc(Oc3cc(Cn4ccnc4)ccc3C#N)c2)CCCCN(C)C1=O
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL8.65
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 8.8 pIC50 TTD_MultiTarget
P49356 FNTB Homo sapiens Human PF00432 8.8 IC50 ChEMBL
P53609 PGGT1B Homo sapiens Human PF00432 8.2 IC50 ChEMBL