Drug Information

Drug General Information
Drug ID
D0N2JY
Former ID
DIB003489
Drug Name
VESTIPITANT MESYLATE
Synonyms
GW-597599; Prop INNM >; Vestipitant mesylate < USAN; N-[1(R)-[3,5-Bis(trifluoromethyl)phenyl]ethyl]-2(S)-(4-fluoro-2-methylphenyl)-N-methylpiperazine-1-carboxamide methanesulfonate
Drug Type
Small molecular drug
Indication Major depressive disorder [ICD9: 296.2, 296.3, 710.0; ICD10:F32, F33, M32] Phase 2 [523755]
Structure
Download
2D MOL

3D MOL
Formula
C24H28F7N3O4S
Canonical SMILES
C[C@@H](N(C)C(=O)N1CCNC[C@@H]1c2ccc(F)cc2C)c3cc(cc(c3)C<br />(F)(F)F)C(F)(F)F.CS(=O)(=O)O
InChI
1S/C23H24F7N3O.CH4O3S/c1-13-8-18(24)4-5-19(13)20-12-31-6-7-33(20)21(34)32(3)14(2)15-9-16(22(25,26)27)11-17(10-15)23(28,29)30;1-5(2,3)4/h4-5,8-11,14,20,31H,6-7,12H2,1-3H3;1H3,(H,2,3,4)/t14-,20-;/m1./s1
InChIKey
BHECXGHXWKHZOY-DXPOFMJKSA-N
PubChem Compound ID
24969622
Target and Pathway
Target(s) Substance-P receptor Target Info Antagonist [530964], [551871]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Measles
PANTHER Pathway CCKR signaling map ST
Reactome G alpha (q) signalling events
WikiPathways SIDS Susceptibility Pathways
Gastrin-CREB signalling pathway via PKC and MAPK
Spinal Cord Injury
Peptide GPCRs
GPCR ligand binding
GPCR downstream signaling
References
Ref 523755ClinicalTrials.gov (NCT01507194) A Study of Vestipitant (GW597599) in the Treatment of Breakthrough Postoperative Nausea and Vomiting (PONV). U.S. National Institutes of Health.
Ref 530964Application of LC-NMR to the identification of bulk drug impurities in NK1 antagonist GW597599 (vestipitant). Magn Reson Chem. 2010 Jul;48(7):523-30.
Ref 551871Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015

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