compound I3 [PMID: 23428964]

Ligand id: 8565

Name: compound I3 [PMID: 23428964]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 43.09
Molecular weight 329.04
XLogP 5.79
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
7-amino-1-bromo-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
Database Links
ChEMBL Ligand CHEMBL1852660
GtoPdb PubChem SID 252166766
PubChem CID 53494934
Search Google for chemical match using the InChIKey XFZZDIHCNHYESF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XFZZDIHCNHYESF
Search UniChem for chemical match using the InChIKey XFZZDIHCNHYESF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone XFZZDIHCNHYESF
Comments
Compound I3 is reported as a potent and selective inhibitor of aminopeptidase-N (ANPEP aka APN) [1]. ANPEP inhibitors are hypothesised to have anti-angiogenic activity with potential use as anti-cancer therapeutics.