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
SMILES / InChI / InChIKey
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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)
InChI Key BFSMGDJOXZAERB-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA and EMA (2013))
IUPAC Name Click here for help
N-[3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide
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
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Search UniChem for chemical match using the InChIKey BFSMGDJOXZAERB-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone BFSMGDJOXZAERB
SynPHARM 79043 (in complex with B-Raf proto-oncogene, serine/threonine kinase)
Wikipedia Dabrafenib