Molecule Details
InChIKeyARCVMPXMLFTEBX-PXJZQJOASA-N
Compound Name(2R)-2-[3-(4-chlorophenyl)propyl]-N-[(2S)-3-cyclohexyl-1-[[3-(4-morpholin-4-ylbutylamino)-3-oxopropyl]amino]-1-oxopropan-2-yl]-N'-hydroxybutanediamide
Canonical SMILESO=C(C[C@@H](CCCc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCC(=O)NCCCCN1CCOCC1)NO
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)5
Pfam Stratification Cross-Family
Avg pChEMBL8.53
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (5)
Target Gene Organism Category Pfam pChEMBL Type Source
P08253 MMP2 Homo sapiens Human PF00040 PF00045 PF00413 10.5 pIC50 TTD_MultiTarget
P08254 MMP3 Homo sapiens Human PF00045 PF00413 PF01471 8.6 Ki ChEMBL;BindingDB
Q9ULZ9 MMP17 Homo sapiens Human PF00045 PF00413 PF01471 8.5 pIC50 TTD_MultiTarget
P03956 MMP1 Homo sapiens Human PF00045 PF00413 PF01471 6.5 Ki ChEMBL;BindingDB
P18843 nadE Escherichia coli (strain K12) Pathogen PF02540 8.5 pIC50 TTD_MultiTarget