compound 35 [PMID: 23916259]

Ligand id: 8842

Name: compound 35 [PMID: 23916259]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 91.55
Molecular weight 441.22
XLogP 4.89
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[(4-hydroxycyclohexyl)amino]-N-(1-phenylcyclopropyl)imidazo[1,2-a]quinoxaline-8-carboxamide
Database Links
ChEMBL Ligand CHEMBL2420572
GtoPdb PubChem SID 252827499
PubChem CID 72164440
Search Google for chemical match using the InChIKey YOOLXKXFWTXRHM-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YOOLXKXFWTXRHM
Search UniChem for chemical match using the InChIKey YOOLXKXFWTXRHM-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone YOOLXKXFWTXRHM
Comments
Compound 35 is reported as an inhibitor of mitogen-activated protein kinase 8 (JNK1; MAPK8) [1].