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
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.
Database Links
CAS Registry No. 147116-64-1 (source: SciFinder)
ChEMBL Ligand CHEMBL515966
GtoPdb PubChem SID 178102377
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