tirabrutinib

Ligand id: 9265

Name: tirabrutinib

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
International Nonproprietary Names
INN number INN
10320 tirabrutinib
Synonyms
GS-4059 | ONO-4059 | ONO4059
Comments
Tirabrutinib (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.
Database Links
GtoPdb PubChem SID 315661340
PubChem CID 89455219
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