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CHEBI:140478 - pavinetant

ChEBI IDCHEBI:140478
ChEBI Namepavinetant
Stars
DefinitionA member of the class of quinolines that is the amide obtained by formal condensation of the carboxy group of 3-[(methanesulfonyl)amino]-2-phenylquinoline-4-carboxylic acid with the amino group of (1S)-1-phenylpropan-1-amine. A neurokinin-3 receptor antagonist that has been trialled as a potential drug for treatment of schizophrenia and menopausal symptoms.
Last Modified27 March 2018
SubmitterSteve
DownloadsMolfile
FormulaC26H25N3O3S
Net Charge0
Average Mass459.571
Monoisotopic Mass459.16166
SMILESCC[C@H](NC(=O)c1c(NS(C)(=O)=O)c(-c2ccccc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C26H25N3O3S/c1-3-21(18-12-6-4-7-13-18)28-26(30)23-20-16-10-11-17-22(20)27-24(19-14-8-5-9-15-19)25(23)29-33(2,31)32/h4-17,21,29H,3H2,1-2H3,(H,28,30)/t21-/m0/s1
InChIKeyQYTBBBAHNIWFOD-NRFANRHFSA-N
Wikipedia
Roles Classification
Biological Role:
neurokinin-3 receptor antagonist  An antagonist at the neurokinin-3 receptor.
Application:
antipsychotic agent  Antipsychotic drugs are agents that control agitated psychotic behaviour, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect.
ChEBI Ontology
Outgoing Relation(s)
pavinetant (CHEBI:140478) has role antipsychotic agent (CHEBI:35476)
pavinetant (CHEBI:140478) has role neurokinin-3 receptor antagonist (CHEBI:140482)
pavinetant (CHEBI:140478) is a aromatic amide (CHEBI:62733)
pavinetant (CHEBI:140478) is a quinolines (CHEBI:26513)
pavinetant (CHEBI:140478) is a secondary carboxamide (CHEBI:140325)
pavinetant (CHEBI:140478) is a sulfonamide (CHEBI:35358)
IUPAC Name 
3-[(methanesulfonyl)amino]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
INNs  Source
pavinétantWHO MedNet
pavinetantumWHO MedNet
pavinetantWHO MedNet
pavinetantWHO MedNet
Synonyms  Source
AZD2624ChemIDplus
AZD4901ChemIDplus
AZD-2624ChemIDplus
MLE4901ChemIDplus
Manual XrefsDatabases
DB11692DrugBank
PavinetantWikipedia
Registry NumbersSources
Reaxys:12927851Reaxys
CAS:941690-55-7ChemIDplus
Citations