compound 14 [PMID: 24900428]

Ligand id: 8154

Name: compound 14 [PMID: 24900428]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 76.24
Molecular weight 381.15
XLogP 2.87
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[2-(4-fluoro-2-methylphenoxymethyl)-5-methoxypyridin-4-yl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
Database Links
BindingDB Ligand 50400754
ChEMBL Ligand CHEMBL2203564
GtoPdb PubChem SID 249565834
PubChem CID 71461150
Search Google for chemical match using the InChIKey WYOFSHLAFWJJAZ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone WYOFSHLAFWJJAZ
Search UniChem for chemical match using the InChIKey WYOFSHLAFWJJAZ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone WYOFSHLAFWJJAZ
Comments
Compound 14 is one of the analogues assessed using structure-based design to identify novel and selective CK1γ Inhibitors [1].