VS-4718

Ligand id: 8742

Name: VS-4718

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 87.75
Molecular weight 501.2
XLogP 4.82
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyridin-4-yl]amino]-N-methylbenzamide
Synonyms
PND-1186 | PND1186
Database Links
CAS Registry No. 1061353-68-1 (source: PubChem)
ChEMBL Ligand CHEMBL3040440
PubChem CID 25073775
Search Google for chemical match using the InChIKey IGUBBWJDMLCRIK-UHFFFAOYSA-N
Search Google for chemicals with the same backbone IGUBBWJDMLCRIK
Search UniChem for chemical match using the InChIKey IGUBBWJDMLCRIK-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone IGUBBWJDMLCRIK
Comments
VS-4718 is an investigational, potent, reversible and orally active inhibitor of focal adhesion kinase (FAK; PTK2) [3]. FAK inhibitors are being investigated for their anti-cancer effects due to the association of increased FAK expression with tumor progression, and the links between integrins and FAK in the adhesion pathways [1].