compound 25 [PMID: 20855207]

Ligand id: 8159

Name: compound 25 [PMID: 20855207]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 124.5
Molecular weight 438.2
XLogP 2.33
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[(1R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
Database Links
ChEMBL Ligand CHEMBL1270399
PubChem CID 46868971
Search Google for chemical match using the InChIKey QBWKPGNFQQJGFY-QLFBSQMISA-N
Search Google for chemicals with the same backbone QBWKPGNFQQJGFY
Search UniChem for chemical match using the InChIKey QBWKPGNFQQJGFY-QLFBSQMISA-N
Search UniChem for chemicals with the same backbone QBWKPGNFQQJGFY
Comments
Compound 25 is an analogue designed in a medicinal chemistry study to identify novel Aurora kinase inhibitors [1]. The compound is selective for AuroraA/B versus other tested kinase proteins. It dose-dependently inhibits xenograft tumour growth and has good oral availability in model species [1].