Molecule Details
InChIKeyOABPNHDJHMUHTK-HVEDROQYSA-N
Compound Name(2S,4S)-4-[[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]amino]-1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
Canonical SMILESC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1C[C@@H](NC(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)C[C@H]1C(=O)O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)2
Pfam Stratification Cross-Family
Avg pChEMBL6.7
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
P12821 ACE Homo sapiens Human PF01401 6.8 IC50 ChEMBL;BindingDB
P27487 DPP4 Homo sapiens Human PF00930 PF00326 6.6 IC50 ChEMBL;BindingDB