apatinib

Ligand id: 7648

Name: apatinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 90.7
Molecular weight 397.19
XLogP 4.73
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (source: 2014 (Chinese FDA))
IUPAC Name
N-[4-(1-cyanocyclopentyl)phenyl]-2-[(4-methylpyridin-3-yl)amino]pyridine-3-carboxamide
Synonyms
YN968D1
Database Links
CAS Registry No. 811803-05-1 (source: SciFinder)
PubChem CID 66577012
Search Google for chemical match using the InChIKey MGZNERAVOCFMCU-UHFFFAOYSA-N
Search Google for chemicals with the same backbone MGZNERAVOCFMCU
Search UniChem for chemical match using the InChIKey MGZNERAVOCFMCU-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone MGZNERAVOCFMCU
Wikipedia Apatinib
Comments
Apatinib is an orally bioavailable, small-molecule multitargeted tyrosine kinase inhibitor, with substantial inhibitory action against vascular endothelial growth factor receptor-2, but also inhibits c-Kit and c-SRC tyrosine kinases [3]. The investigational compound is used as the mesylate salt (PubChem CID 66577011).