selatinib

Ligand id: 9919

Name: selatinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 108.49
Molecular weight 564.14
XLogP 4.6
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfinylethylamino)methyl]furan-2-yl]quinazolin-4-amine
Comments
Selatinib (L-2) is a dual EGFR/HER2 receptor tyrosine kinase inhibitor that was developed for anti-cancer potential [1]. It is an anlogue of lapatinib and shares the same mechanism of action, but has an improved pharmacokinetic profile, with bioavailability at 187% of that of lapatinib. The tosylate salt form of selatinib is highly soluble. Selatinib is a 'pseudo' INN, that takes the form of an INN, but has not been submitted to the World Health Organisation for ratification.
Database Links
BindingDB Ligand 140985
CAS Registry No. 1275595-86-2 (source: PubChem)
ChEMBL Ligand CHEMBL3040548
GtoPdb PubChem SID 363894213
PubChem CID 51348455
Search Google for chemical match using the InChIKey OAMVGUFHZPRXOM-UHFFFAOYSA-N
Search Google for chemicals with the same backbone OAMVGUFHZPRXOM
Search UniChem for chemical match using the InChIKey OAMVGUFHZPRXOM-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone OAMVGUFHZPRXOM