parsaclisib

Ligand id: 10098

Name: parsaclisib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 107.95
Molecular weight 432.15
XLogP 2.88
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(4R)-4-[3-[(1S)-1-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-chloro-2-ethoxy-6-fluorophenyl]pyrrolidin-2-one
International Nonproprietary Names
INN number INN
10589 parsaclisib
Synonyms
INCB-050465
Comments
Parsaclisib (INCB050465) is a PI3Kδ inhibitor that was developed by Incyte Corporation as an antineoplastic and immunomodulatory agent, as claimed in their patent WO2014134426A1 [1]. The chemical structure is one of those claimed in patent WO2013033569A1, but it is not clear which example it is from a mixture of diastereoisomers 345-348 (although 347 and 348 had the highest inhibitory potency vs. PI3Kδ and 347 was tested in vivo [2].
Database Links
GtoPdb PubChem SID 381118808
PubChem CID 86677874
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