Molecule Details
InChIKeyFFEXFXFAIZBMGO-BWKNWUBXSA-N
Compound Name{2-[(S)-2-((R)-2-Hydroxycarbamoylmethyl-4-methyl-pentanoylamino)-3-(1H-indol-3-yl)-propionylamino]-ethyl}-carbamic acid benzyl ester
Canonical SMILESCC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCNC(=O)OCc1ccccc1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL8.74
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P22894 MMP8 Homo sapiens Human PF00045 PF00413 PF01471 9.0 Ki ChEMBL;BindingDB
P14780 MMP9 Homo sapiens Human PF00040 PF00045 PF00413 9.0 Ki ChEMBL;BindingDB
P18843 nadE Escherichia coli (strain K12) Pathogen PF02540 8.2 pIC50 TTD_MultiTarget