Molecule Details
InChIKeyQAYDNEIOSCTECQ-QCNZEISBSA-N
Compound Name(2S,4R)-4-(3-Methyl-1-phenylcarbamoyl-butylcarbamoyl)-2-[4-(1-oxo-1,3-dihydro-isoindol-2-yl)-butyl]-6-(4-propyl-phenyl)-hexanoic acid
Canonical SMILESCCCc1ccc(CC[C@H](C[C@H](CCCCN2Cc3ccccc3C2=O)C(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL8.64
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 9.4 Ki ChEMBL;BindingDB
P08253 MMP2 Homo sapiens Human PF00040 PF00045 PF00413 8.2 pIC50 TTD_MultiTarget
P18843 nadE Escherichia coli (strain K12) Pathogen PF02540 8.2 pIC50 TTD_MultiTarget