JAK inhibitor 20a

Ligand id: 10147

Name: JAK inhibitor 20a

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 113.24
Molecular weight 445.18
XLogP 2.34
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(R)-1-(2-(7,8-Dimethoxy-5-oxo-1,5-dihydro-4H-benzo[c]pyrrolo[2,3-h][1,6]naphthyridin-4-yl)butanoyl)azetidine-3-carbonitrile
Comments
Inhibitor 20a represents a novel chemotype for Janus kinase inhibitors; benzo[ c]pyrrolo[2,3- h][1,6]naphthyridin-5-one (BPN) [1]. It was identified using sequential palladium catalysis.
Database Links
GtoPdb PubChem SID 381118857
Search Google for chemical match using the InChIKey ZDNBWZRRFSXDFS-GOSISDBHSA-N
Search Google for chemicals with the same backbone ZDNBWZRRFSXDFS
Search UniChem for chemical match using the InChIKey ZDNBWZRRFSXDFS-GOSISDBHSA-N
Search UniChem for chemicals with the same backbone ZDNBWZRRFSXDFS