poseltinib

Ligand id: 9862

Name: poseltinib

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 95.76
Molecular weight 470.21
XLogP 3.26
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[3-[2-[4-(4-methylpiperazin-1-yl)anilino]furo[3,2-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
International Nonproprietary Names
INN number INN
10235 poseltinib
Synonyms
Example 228 [WO2011162515A2] | HM71224 | HM‐71224 | LY333764
Comments
Poseltinib (HM71224) is an inhibitor of Bruton's tyrosine kinase (BTK). Having shown anti-inflammatory activity in rodent models of rheumatoid arthritis (RA) and SLE [1-3], it was advanced to clinical trial as a potential RA therapy. The chemical structure is claimed in Hanmi patent WO2011162515A2 [1] (Example 228).
Database Links
CAS Registry No. 1353552-97-2 (source: WHO INN record)
GtoPdb PubChem SID 363894156
PubChem CID 56644522
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