compound 38 [PMID: 20817473]

Ligand id: 8768

Name: compound 38 [PMID: 20817473]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 130.83
Molecular weight 544.23
XLogP 4.75
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[(4-morpholin-4-ylbenzoyl)amino]-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-1H-thieno[5,4-d]pyrazole-5-carboxamide
Database Links
ChEMBL Ligand CHEMBL1258913
PubChem CID 11847343
Search Google for chemical match using the InChIKey ORWIYCURPDKSBI-XMMPIXPASA-N
Search Google for chemicals with the same backbone ORWIYCURPDKSBI
Search UniChem for chemical match using the InChIKey ORWIYCURPDKSBI-XMMPIXPASA-N
Search UniChem for chemicals with the same backbone ORWIYCURPDKSBI
Comments
Compound 38 was developed as an Aurora kinase inhibitor and was investigated for its antitumour activity [1].