compound 20f [PMID: 28520415]

Ligand id: 9961

Name: compound 20f [PMID: 28520415]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 139.71
Molecular weight 584.3
XLogP 4.72
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-amino-6-{[(1S)-1-{3-methyl-6-[3-({4-[methyl(2-methylpropyl)amino]piperidin-1-yl}methyl)phenyl]-5-oxo-5H-[1,3]thiazolo[3,2-a]pyridin-7-yl}ethyl]amino}pyrimidine-5-carbonitrile
Comments
Compound 20f [PMID: 28520415] is reported as a selective inhibitor of PI3Kδ that was specifically designed as an inhalation drug with potential immunomodulatory effects, and which could be effective as a treatment of airway inflammation [1]. It has limited oral bioavailability and systemic exposure, but is retained in lung tissue in vivo following intratracheal delivery.
Database Links
GtoPdb PubChem SID 374883848
Search Google for chemical match using the InChIKey ZUQSHQGUCXJKSV-QFIPXVFZSA-N
Search Google for chemicals with the same backbone ZUQSHQGUCXJKSV
Search UniChem for chemical match using the InChIKey ZUQSHQGUCXJKSV-QFIPXVFZSA-N
Search UniChem for chemicals with the same backbone ZUQSHQGUCXJKSV