JFD00064

Ligand id: 9668

Name: JFD00064

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 47.58
Molecular weight 418.15
XLogP 8.5
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[(1-cyanophenanthren-3-yl)methyl]phenanthrene-1-carbonitrile
Comments
JFD00064 is a non-peptidic inhibitor of aminopeptidase N (APN) [1]. Unlike other APN inhibitors it is non-competitive with respect to the enzyme's zinc binding domain.
Database Links
GtoPdb PubChem SID 348353627
PubChem CID 2817201
Search Google for chemical match using the InChIKey IXJJCXATJSXNJM-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey IXJJCXATJSXNJM-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone IXJJCXATJSXNJM