compound 10 [PMID: 23147077]

Ligand id: 8133

Name: compound 10 [PMID: 23147077]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 64.22
Molecular weight 359.17
XLogP 5.73
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-tert-butyl-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide
Synonyms
TC ASK 10
Database Links
ChEMBL Ligand CHEMBL1642655
PubChem CID 24944925
RCSB PDB Ligand IM6
Search Google for chemical match using the InChIKey SMJAMOAYGIVKRI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SMJAMOAYGIVKRI
Search UniChem for chemical match using the InChIKey SMJAMOAYGIVKRI-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone SMJAMOAYGIVKRI
SynPHARM 81444 (in complex with mitogen-activated protein kinase kinase kinase 5)
Comments
Compound 10 is an ASK1 (apoptosis signal-regulating kinase 1) inhibitor [1], with approximately 50 fold selectivity compared to ASK2 (aka MEKK6 or MAP3K6).