netupitant

Ligand id: 5742

Name: netupitant

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 8
Topological polar surface area 39.68
Molecular weight 578.25
XLogP 8.7
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2014), EMA (2015))
IUPAC Name
2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide
International Nonproprietary Names
INN number INN
8409 netupitant
Synonyms
Ro 67-31898/000 | Ro-673189000
Database Links
CAS Registry No. 290297-26-6 (source: SciFinder)
ChEMBL Ligand CHEMBL206253
PubChem CID 6451149
Search Google for chemical match using the InChIKey WAXQNWCZJDTGBU-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey WAXQNWCZJDTGBU-UHFFFAOYSA-N
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Wikipedia Netupitant
Comments
Netupitant is a selective tachykinin receptor 1 (NK1) receptor antagonist.