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
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).
Database Links
ChEMBL Ligand CHEMBL1642655
GtoPdb PubChem SID 249565813
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)