ARN-3236   Click here for help

GtoPdb Ligand ID: 9581

Synonyms: example 86 [WO2014093383]
Compound class: Synthetic organic
Comment: 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].
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 75.38
Molecular weight 336.09
XLogP 4.63
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES COc1cc(OC)ccc1c1c[nH]c2c1c(ccn2)c1cscc1
Isomeric SMILES COc1cc(OC)ccc1c1c[nH]c2c1c(ccn2)c1cscc1
InChI InChI=1S/C19H16N2O2S/c1-22-13-3-4-15(17(9-13)23-2)16-10-21-19-18(16)14(5-7-20-19)12-6-8-24-11-12/h3-11H,1-2H3,(H,20,21)
InChI Key WEHOIIGXTMKVRG-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine
Synonyms Click here for help
example 86 [WO2014093383]
Database Links Click here for help
GtoPdb PubChem SID 340590212
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