Molecule Details
InChIKeyFDTJRQKLOALWEP-JBBQQGGESA-N
Compound Name(2S)-2-[[[(1R)-1-[[(2S)-2-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]ethyl]-hydroxyphosphoryl]methyl]-4-phenylbutanoic acid
Canonical SMILESCC(=O)NCCOCCOCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)P(=O)(O)C[C@@H](CCc1ccccc1)C(=O)O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL8.83
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P15085 CPA1 Homo sapiens Human PF00246 PF02244 9.8 Ki ChEMBL;BindingDB
Q9UI42 CPA4 Homo sapiens Human PF00246 PF02244 8.5 Ki ChEMBL;BindingDB
P48052 CPA2 Homo sapiens Human PF00246 PF02244 8.2 Ki ChEMBL;BindingDB