InChIKey	GPXBXXGIAQBQNI-UHFFFAOYSA-N
Compound Name	Vemurafenib
Canonical SMILES	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	11
Pfam Stratification	Cross-Family
Avg pChEMBL	7.24
Source	ChEMBL;BindingDB

DrugBank ID	DB08881
Drug Name	Vemurafenib
CAS Number	918504-65-1
Groups	approved investigational
ATC Codes	G01AE10 L01EC01
Description	Vemurafenib is a competitive kinase inhibitor with activity against BRAF kinase with mutations like V600E.[A31269] It exerts its function by binding to the ATP-binding domain of the mutant BRAF.[A31270] Vemurafenib was co-developed by Roche and Plexxikon and it obtained its FDA approval on August 17...

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Categories: Amides Antineoplastic Agents Antineoplastic and Immunomodulating Agents B-Raf serine-threonine kinase (BRAF) inhibitors BCRP/ABCG2 Inhibitors BCRP/ABCG2 Substrates Cytochrome P-450 CYP1A2 Inhibitors Cytochrome P-450 CYP1A2 Inhibitors (moderate) Cytochrome P-450 CYP2B6 Inducers Cytochrome P-450 CYP2B6 Inducers (strength unknown) Cytochrome P-450 CYP2C8 Inhibitors Cytochrome P-450 CYP2C8 Inhibitors (strength unknown) Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (strength unknown) Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (weak) Cytochrome P-450 CYP3A Inducers Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inducers Cytochrome P-450 CYP3A4 Inducers (strength unknown) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Drugs causing inadvertant photosensitivity Enzyme Inhibitors Genito Urinary System and Sex Hormones Gynecological Antiinfectives and Antiseptics Heterocyclic Compounds, Fused-Ring Highest Risk QTc-Prolonging Agents Indoles Kinase Inhibitor Narrow Therapeutic Index Drugs P-glycoprotein inhibitors P-glycoprotein substrates P-glycoprotein substrates with a Narrow Therapeutic Index Photosensitizing Agents Protein Kinase Inhibitors QTc Prolonging Agents Sulfonamides Sulfones Sulfur Compounds Tyrosine Kinase Inhibitors

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Cross-references: BindingDB: 50396483 ChEBI: 63637 CHEMBL1229517 ChemSpider: 24747352 Drugs Product Database (DPD): 21189 D09996 PDB: 032 PharmGKB: PA165946873 PubChem:42611257 PubChem:175427131 RxCUI: 1147220 Wikipedia: Vemurafenib ZINC: ZINC000052509366