Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0J4PB
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| Former ID |
DIB010834
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| Drug Name |
GW 597599
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| Synonyms |
Vestipitant mesylate < USAN; N-[1(R)-[3,5-Bis(trifluoromethyl)phenyl]ethyl]-2(S)-(4-fluoro-2-methylphenyl)-N-methylpiperazine-1-carboxamide methanesulfonate
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| Drug Type |
Small molecular drug
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| Indication | Major depressive disorder [ICD-11: 6A70.3; ICD-10: F32.2] | Phase 2 | [1] | |
| Mood disorder [ICD-11: 6A60-6E23] | Phase 2 | [2] | ||
| Company |
GlaxoSmithKline
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| Structure |
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Download2D MOL
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| Formula |
C24H28F7N3O4S
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| Canonical SMILES |
CC1=C(C=CC(=C1)F)C2CNCCN2C(=O)N(C)C(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F.CS(=O)(=O)O
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| 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
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| InChIKey |
BHECXGHXWKHZOY-DXPOFMJKSA-N
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| CAS Number |
CAS 334476-64-1
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Substance-P receptor (TACR1) | Target Info | Antagonist | [3] |
| 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 | Top | |||
|---|---|---|---|---|
| REF 1 | ClinicalTrials.gov (NCT01507194) A Study of Vestipitant (GW597599) in the Treatment of Breakthrough Postoperative Nausea and Vomiting (PONV). U.S. National Institutes of Health. | |||
| REF 2 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800015473) | |||
| REF 3 | Application of LC-NMR to the identification of bulk drug impurities in NK1 antagonist GW597599 (vestipitant). Magn Reson Chem. 2010 Jul;48(7):523-30. | |||
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