Molecule Details
InChIKeyNQIXDTDBVQANSX-XZVIONEGSA-N
Compound Name((R)-1-{(S)-2-[(1-Benzoyl-pyrrolidine-2-carbonyl)-amino]-propionylamino}-ethyl)-[2-((S)-3-methyl-1-phenylcarbamoyl-butylcarbamoyl)-4-phenyl-butyl]-phosphinic acid
Canonical SMILESCC(C)C[C@H](NC(=O)C(CCc1ccccc1)CP(=O)(O)[C@H](C)NC(=O)[C@H](C)NC(=O)C1CCCN1C(=O)c1ccccc1)C(=O)Nc1ccccc1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.7
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 7.7 Ki ChEMBL;BindingDB
Q9ULZ9 MMP17 Homo sapiens Human PF00045 PF00413 PF01471 7.7 pIC50 TTD_MultiTarget
P18843 nadE Escherichia coli (strain K12) Pathogen PF02540 7.7 pIC50 TTD_MultiTarget