compound 22 [PMID: 19899765]

Ligand id: 6562

Name: compound 22 [PMID: 19899765]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 18
Topological polar surface area 167.63
Molecular weight 667.24
XLogP 10.43
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-2-(2-benzyl-3-{[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl}propanamido)-3-(1H-indol-3-yl)propanoic acid
Database Links
ChEMBL Ligand CHEMBL571153
PubChem CID 45485268
Search Google for chemical match using the InChIKey WWTBZEKOSBFBEM-SPWPXUSOSA-N
Search Google for chemicals with the same backbone WWTBZEKOSBFBEM
Search UniChem for chemical match using the InChIKey WWTBZEKOSBFBEM-SPWPXUSOSA-N
Search UniChem for chemicals with the same backbone WWTBZEKOSBFBEM
Comments
ECE1 inhibitor