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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
| Id | http://purl.obolibrary.org/obo/CHEBI_63637
http://purl.obolibrary.org/obo/CHEBI_63637
|
|---|---|
| Preferred Name | vemurafenib |
| Synonyms |
N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide
N-{3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide
Zelboraf
C23H18ClF2N3O3S
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| prefLabel | vemurafenib
|
|---|---|
| label | vemurafenib
|
| DBSynonym |
rg7204
braf(v600e) kinase inhibitor ro5185426
ro5185426
plx4032
|
| ATCCode | L01XE15
|
| Definition | Vemurafenib is a BRAF enzyme inhibitor developed by Plexxikon and Genentech for the treatment of late-stage melanoma. [Wikipedia] The cobas? 4800 BRAF B600 mutation test provided by Roche Molecular Systems is the diagnostic test to confirm eligibility for treatment. FDA approved on August 17, 2011 under the company Hoffmann La Roche.
A pyrrolopyridine sulfonamide inhibitor of BRAF and other kinases.
|
| has pharmacological target | |
| induces | |
| inhibits | |
| type | |
| has role | |
| InChIKey |
InChIKey=GPXBXXGIAQBQNI-UHFFFAOYNA-N
InChIKey=GPXBXXGIAQBQNI-UHFFFAOYSA-N
|
| is metabolised by | |
| AHFScode | 10:00
|
| Synonym | N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide
N-{3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide
Zelboraf
C23H18ClF2N3O3S
|
| xref |
ChEMBL:791867
CiteXplore:22083257
Reaxys:12833468
CiteXplore:21639808
PharmGKB:PA165946873
CiteXplore:22180495
PDBeChem:032
KEGG DRUG:D09996
CiteXplore:21609436
Drugs.com:http://www.drugs.com/mtm/vemurafenib.html
National Drug Code Directory:50242-090-01
Patent:WO2010114928
ChEBI:63637
Wikipedia:http://en.wikipedia.org/wiki/Vemurafenib
CiteXplore:22028422
Wikipedia:Vemurafenib
CASRN:918504-65-1
CiteXplore:22037033
RxList:http://www.rxlist.com/zelboraf-drug.htm
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| CASRN | 918504-65-1
|
| prefixIRI | obo2:CHEBI_63637
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| is transported by | |
| is substrate of | |
| SMILES |
CCCS(=O)(=O)NC1=C(F)C(C(=O)C2=CNC3=NC=C(C=C23)C2=CC=C(Cl)C=C2)=C(F)C=C1
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F
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| may interact with |
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| InChI | InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)
InChI=1/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)
|
| DBBrand | zelboraf
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| subClassOf |
| Delete | Subject | Author | Type | Created |
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| No notes to display |