sorafenib   Click here for help

GtoPdb Ligand ID: 5711

Synonyms: BAY 43-9006 | BAY-439006 | Nexavar®
Approved drug PDB Ligand
sorafenib is an approved drug (FDA (2005), EMA (2006))
Compound class: Synthetic organic
Comment: Sorafenib is a broad spectrum Type-2 kinase inhibitor targeting VEGFR2, VEGFR3, PDGFRβ, Flt3, and KIT and non-receptor kinases RAF1 and BRAF [8].
Click here for help
IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: sorafenib

2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 92.35
Molecular weight 464.09
XLogP 3.75
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CNC(=O)c1nccc(c1)Oc1ccc(cc1)NC(=O)Nc1ccc(c(c1)C(F)(F)F)Cl
Isomeric SMILES CNC(=O)c1nccc(c1)Oc1ccc(cc1)NC(=O)Nc1ccc(c(c1)C(F)(F)F)Cl
InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
InChI Key MLDQJTXFUGDVEO-UHFFFAOYSA-N