vemurafenib

Ligand id: 5893

Name: vemurafenib

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 100.3
Molecular weight 489.07
XLogP 5.04
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2011), EMA (2012))
Prodrug compound 2 [PMID: 26061392]
IUPAC Name
N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide
International Nonproprietary Names
INN number INN
9286 vemurafenib
Synonyms
PLX4032 | RG7204 | Zelboraf®
Database Links
CAS Registry No. 918504-65-1 (source: SciFinder)
ChEBI CHEBI:63637
ChEMBL Ligand CHEMBL1229517
DrugBank Ligand DB08881
GtoPdb PubChem SID 178102516
PubChem CID 42611257
RCSB PDB Ligand 32, 032
Search Google for chemical match using the InChIKey GPXBXXGIAQBQNI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GPXBXXGIAQBQNI
Search PubMed clinical trials vemurafenib
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Search PubMed titles/abstracts vemurafenib
Search UniChem for chemical match using the InChIKey GPXBXXGIAQBQNI-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone GPXBXXGIAQBQNI
SynPHARM 79553 (in complex with B-Raf proto-oncogene, serine/threonine kinase)
Wikipedia Vemurafenib
Comments
Vemurafenib is a Type-2 kinase inhibitor and was first approved by the FDA in 2011.