ezlopitant

Ligand id: 5751

Name: ezlopitant

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 24.5
Molecular weight 454.3
XLogP 10.61
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(7S,8S)-7-[di(phenyl)methyl]-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1-azabicyclo[2.2.2]octan-8-amine
International Nonproprietary Names
INN number INN
7898 ezlopitant
Synonyms
CJ 11974 | CJ-11974 | CJ11974
Database Links
CAS Registry No. 147116-64-1 (source: SciFinder)
ChEMBL Ligand CHEMBL515966
PubChem CID 188927
Search Google for chemical match using the InChIKey XPNMCDYOYIKVGB-CONSDPRKSA-N
Search Google for chemicals with the same backbone XPNMCDYOYIKVGB
Search PubMed clinical trials ezlopitant
Search PubMed titles ezlopitant
Search PubMed titles/abstracts ezlopitant
Search UniChem for chemical match using the InChIKey XPNMCDYOYIKVGB-CONSDPRKSA-N
Search UniChem for chemicals with the same backbone XPNMCDYOYIKVGB
Wikipedia Ezlopitant
Comments
There is some ambiguity as to the exact structure of ezlopitant in the literature and on other databases. The structure shown here is the same as the INN-assigned structure.