citibrasine

Ligand id: 8561

Name: citibrasine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 88.46
Molecular weight 331.11
XLogP 0.29
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
1,5-dihydroxy-2,3,4-trimethoxy-10-methylacridin-9-one
Synonyms
compound 7 [PMID: 21277783] [1]
Database Links
CAS Registry No. 86680-34-4 (source: PubChem)
ChEMBL Ligand CHEMBL1668599
PubChem CID 19093029
Search Google for chemical match using the InChIKey QYPQTPVQPNLXHV-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QYPQTPVQPNLXHV
Search UniChem for chemical match using the InChIKey QYPQTPVQPNLXHV-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone QYPQTPVQPNLXHV
Comments
Citibrasine (an acridone alkaloid derivative extracted of the stem bark of Swinglea glutinosa) is reported as a substrate-competitive inhibitor of cathepsin V [1]. Cathepsin V has been considered as a potential druggable molecular target because of the role that the enzyme plays in cancer progression.