compound 1a [PMID: 25692029]

Ligand id: 9091

Name: compound 1a [PMID: 25692029]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 10
Topological polar surface area 139.53
Molecular weight 418.17
XLogP 3.01
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Prodrug PL265
IUPAC Name
(2S)-2-[[(2S)-2-[[[(1R)-1-aminoethyl]-hydroxyphosphoryl]methyl]-3-(4-phenylphenyl)propanoyl]amino]propanoic acid
Comments
Active compound formed from prodrug PL265.
Database Links
GtoPdb PubChem SID 315661176
PubChem CID 5478838
RCSB PDB Ligand BIR
Search Google for chemical match using the InChIKey CWJPVKSBGVPXRD-QMTMVMCOSA-N
Search Google for chemicals with the same backbone CWJPVKSBGVPXRD
Search UniChem for chemical match using the InChIKey CWJPVKSBGVPXRD-QMTMVMCOSA-N
Search UniChem for chemicals with the same backbone CWJPVKSBGVPXRD
SynPHARM 83483 (in complex with Leukotriene A4 hydrolase)
83481 (in complex with Neutral endopeptidase)