compound 36 [PMID: 21958547]

Ligand id: 9391

Name: compound 36 [PMID: 21958547]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 65.76
Molecular weight 438.25
XLogP 3.42
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Comments
Compound 36 is a selective and irreversible small molecule inhibitor of Bruton's tyrosine kinase (BTK) [1]. The compound is being studied for potential to treat rheumatoid arthritis, having been assessed as effective in preclinical models of the disease.
Database Links
GtoPdb PubChem SID 328083493
PubChem CID 124037381
Search Google for chemical match using the InChIKey KJDBCEWMSRFWQY-JXMROGBWSA-N
Search Google for chemicals with the same backbone KJDBCEWMSRFWQY
Search UniChem for chemical match using the InChIKey KJDBCEWMSRFWQY-JXMROGBWSA-N
Search UniChem for chemicals with the same backbone KJDBCEWMSRFWQY