JAK inhibitor 17b

Ligand id: 10148

Name: JAK inhibitor 17b

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 69.14
Molecular weight 391.19
XLogP 5.71
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-(Cyclohexylmethyl)-7,8-dimethoxy-1,4-dihydro-5H-benzo[c]pyrrolo[2,3-h][1,6]naphthyridin-5-one
Comments
Inhibitor 17b 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 381118858
Search Google for chemical match using the InChIKey RSFALMGMTQBFJZ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RSFALMGMTQBFJZ
Search UniChem for chemical match using the InChIKey RSFALMGMTQBFJZ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone RSFALMGMTQBFJZ