Molecule Details
InChIKeyLMJBKCLEHMNEQJ-ZFCSCTFJSA-N
Compound Name[(2S)-2-[[(2S)-1-anilino-4-methyl-1-oxopentan-2-yl]carbamoyl]-4-phenylbutyl]-[(E)-4-(1,3-dioxoisoindol-2-yl)but-2-enyl]phosphinic acid
Canonical SMILESCC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)CP(=O)(O)C/C=C/CN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccccc1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL8.33
SourceChEMBL;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 8.3 Ki ChEMBL
P08253 MMP2 Homo sapiens Human PF00040 PF00045 PF00413 8.3 pIC50 TTD_MultiTarget
P18843 nadE Escherichia coli (strain K12) Pathogen PF02540 8.3 pIC50 TTD_MultiTarget