ARN-3236

Ligand id: 9581

Name: ARN-3236

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 75.38
Molecular weight 336.09
XLogP 3.71
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine
Synonyms
example 86 [WO2014093383]
Database Links
PubChem CID 74766530
Search Google for chemical match using the InChIKey WEHOIIGXTMKVRG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone WEHOIIGXTMKVRG
Search UniChem for chemical match using the InChIKey WEHOIIGXTMKVRG-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone WEHOIIGXTMKVRG
Comments
ARN-3236 is an orally active, ATP-competitive inhibitor of salt-inducible kinases (SIKs) [3]. It is one of the chemical structures claimed in patent WO2014093383, in which it is referred to as Example 86 or compound 114 [2].