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
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)
Comments
Active compound formed from prodrug PL265.