dabrafenib   Click here for help

GtoPdb Ligand ID: 6494

Synonyms: GSK2118436 | GSK2118436A | Tafinlar®
Approved drug PDB Ligand
dabrafenib is an approved drug (FDA and EMA (2013))
Compound class: Synthetic organic
Comment: Dabrafenib is a Type-1.5 kinase inhibitor.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 147.48
Molecular weight 519.1
XLogP 3.91
No. Lipinski's rules broken 0
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Canonical SMILES Nc1nccc(n1)c1sc(nc1c1cccc(c1F)NS(=O)(=O)c1c(F)cccc1F)C(C)(C)C
Isomeric SMILES Nc1nccc(n1)c1sc(nc1c1cccc(c1F)NS(=O)(=O)c1c(F)cccc1F)C(C)(C)C
InChI InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA and EMA (2013))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
9458 dabrafenib
Synonyms Click here for help
GSK2118436 | GSK2118436A | Tafinlar®
Database Links Click here for help
Specialist databases
Reactome Drug Reactome logo R-ALL-6802252
Reactome Reaction Reactome logo R-HSA-6802938
Other databases
CAS Registry No. 1195765-45-7 (source: SciFinder)
ChEMBL Ligand CHEMBL2028663
DrugBank Ligand DB08912
DrugCentral Ligand 4801
GtoPdb PubChem SID 178103108
PubChem CID 44462760
RCSB PDB Ligand P06
Search Google for chemical match using the InChIKey BFSMGDJOXZAERB-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BFSMGDJOXZAERB
Search PubMed clinical trials dabrafenib
Search PubMed titles dabrafenib
Search PubMed titles/abstracts dabrafenib
SynPHARM 79043 (in complex with B-Raf proto-oncogene, serine/threonine kinase)
UniChem Compound Search for chemical match using the InChIKey BFSMGDJOXZAERB-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey BFSMGDJOXZAERB-UHFFFAOYSA-N
Wikipedia Dabrafenib