LASW1393

Ligand id: 10527

Name: LASW1393

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 132.25
Molecular weight 365.16
XLogP 1.34
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[(1r,4r)-4-{8-oxo-2-[(2-oxo-1,2-dihydropyridin-3-yl)amino]-8,9-dihydro-7H-purin-9-yl}cyclohexyl]acetonitrile
Synonyms
compound 34 [PMID: 31609613] | LASW-1393
Comments
LASW1393 is a pan-JAK inhibitor that was developed as an inhalation anti-inflammatory [1]. It is active in vivo in a rat model of airway inflammation.
PubChem CID 71062030 represents the compound without specified stereochemistry.
Database Links
GtoPdb PubChem SID 387065609
RCSB PDB Ligand GYQ
Search Google for chemical match using the InChIKey NIIBPFADTOPKBI-HAQNSBGRSA-N
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Search UniChem for chemical match using the InChIKey NIIBPFADTOPKBI-HAQNSBGRSA-N
Search UniChem for chemicals with the same backbone NIIBPFADTOPKBI