L-732,138

Ligand id: 9461

Name: L-732,138

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 71.19
Molecular weight 472.12
XLogP 6.31
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate
Synonyms
L-732138 | L732138
Database Links
BindingDB Ligand 21016
ChEMBL Ligand CHEMBL22870
PubChem CID 132837
Search Google for chemical match using the InChIKey BYYQYXVAWXAYQC-IBGZPJMESA-N
Search Google for chemicals with the same backbone BYYQYXVAWXAYQC
Search UniChem for chemical match using the InChIKey BYYQYXVAWXAYQC-IBGZPJMESA-N
Search UniChem for chemicals with the same backbone BYYQYXVAWXAYQC
Comments
L-732,138 is a competitive and selective NK1 receptor antagonist [1].