ONO-4059

Ligand id: 9265

Name: ONO-4059

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 104.89
Molecular weight 456.19
XLogP 4.05
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
6-amino-7-(4-phenoxyphenyl)-9-[(3S)-1-prop-2-enoylpiperidin-3-yl]purin-8-one
Synonyms
GS-4059 | ONO4059
Database Links
PubChem CID 89455219
Search Google for chemical match using the InChIKey KSUDUUBCXJUFRL-SFHVURJKSA-N
Search Google for chemicals with the same backbone KSUDUUBCXJUFRL
Search UniChem for chemical match using the InChIKey KSUDUUBCXJUFRL-SFHVURJKSA-N
Search UniChem for chemicals with the same backbone KSUDUUBCXJUFRL
Comments
ONO-4059 is a potent, reversible Bruton's tyrosine kinase (BTK) inhibitor. It is one of the compounds claimed in patent WO2011152351 [2], specifically the S enantiomer of Example 8 (14) therein.