vestipitant

Ligand id: 5757

Name: vestipitant

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 35.58
Molecular weight 491.18
XLogP 6.6
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperazine-1-carboxamide
International Nonproprietary Names
INN number INN
8522 vestipitant
Synonyms
GW597588B
Database Links
CAS Registry No. 334476-46-9 (source: SciFinder)
ChEMBL Ligand CHEMBL522987
PubChem CID 9832383
Search Google for chemical match using the InChIKey SBBYBXSFWOLDDG-JLTOFOAXSA-N
Search Google for chemicals with the same backbone SBBYBXSFWOLDDG
Search PubMed clinical trials vestipitant
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Search UniChem for chemical match using the InChIKey SBBYBXSFWOLDDG-JLTOFOAXSA-N
Search UniChem for chemicals with the same backbone SBBYBXSFWOLDDG
Wikipedia Vestipitant
Comments
Vestipitant is an investigational NK1 receptor antagonist.