CHEBI:140478 - pavinetant

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ChEBI Name pavinetant
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C26H25N3O3S
Net Charge 0
Average Mass 459.562
Monoisotopic Mass 459.16166
InChI InChI=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
SMILES N1=C(C(=C(C2=CC=CC=C12)C(=O)N[C@@H](CC)C=3C=CC=CC3)NS(C)(=O)=O)C=4C=CC=CC4
Roles Classification
Biological Role(s): neurokinin-3 receptor antagonist
An antagonist at the neurokinin-3 receptor.
Application(s): antipsychotic agent
Antipsychotic drugs are agents that control agitated psychotic behaviour, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect.
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ChEBI Ontology
Outgoing 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)
INNs Sources
pavinetant WHO MedNet
pavinetant WHO MedNet
pavinétant WHO MedNet
pavinetantum WHO MedNet
Synonyms Sources
AZD-2624 ChemIDplus
AZD2624 ChemIDplus
AZD4901 ChemIDplus
MLE4901 ChemIDplus
Manual Xrefs Databases
DB11692 DrugBank
Pavinetant Wikipedia
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Registry Numbers Types Sources
12927851 Reaxys Registry Number Reaxys
941690-55-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
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Last Modified
27 March 2018