defactinib

Ligand id: 7910

Name: defactinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 150.48
Molecular weight 510.14
XLogP 2.22
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-methyl-4-((4-(((3-(N-methylmethylsulfonamido)pyrazin-2-yl)methyl)amino)-5-(trifluoromethyl)pyrimidin-2-yl)amino)benzamide
International Nonproprietary Names
INN number INN
9928 defactinib
Synonyms
PF-04554878 | VS-6063
Database Links
ChEMBL Ligand CHEMBL3137331
PubChem CID 25117126
Search Google for chemical match using the InChIKey FWLMVFUGMHIOAA-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey FWLMVFUGMHIOAA-UHFFFAOYSA-N
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Comments
Defactinib (VS-6063) is an orally bioavailable, small-molecule focal adhesion kinase (FAK) inhibitor with potential antiangiogenic and antineoplastic activities [1,6].