Molecule Details
InChIKeyFDWJCEDPTNPQLJ-GPPFSWFQSA-N
Compound Name((R)-1-{(S)-2-[(1-Acetyl-pyrrolidine-2-carbonyl)-amino]-propionylamino}-ethyl)-[2-((S)-3-methyl-1-phenylcarbamoyl-butylcarbamoyl)-4-phenyl-butyl]-phosphinic acid
Canonical SMILESCC(=O)N1CCCC1C(=O)N[C@@H](C)C(=O)N[C@@H](C)P(=O)(O)CC(CCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL8.21
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P08254 MMP3 Homo sapiens Human PF00045 PF00413 PF01471 8.2 Ki ChEMBL;BindingDB
Q9ULZ9 MMP17 Homo sapiens Human PF00045 PF00413 PF01471 8.2 pIC50 TTD_MultiTarget
P18843 nadE Escherichia coli (strain K12) Pathogen PF02540 8.2 pIC50 TTD_MultiTarget