PFK15

Ligand id: 9562

Name: PFK15

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 42.85
Molecular weight 260.09
XLogP 4.24
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-(pyridin-4-yl)-3-(quinolin-2-yl)prop-2-en-1-one
Synonyms
PFK-015
Database Links
BindingDB Ligand 50445946
ChEMBL Ligand CHEMBL3105836
PubChem CID 25142799
Search Google for chemical match using the InChIKey UJJUKZPBUMCSJZ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone UJJUKZPBUMCSJZ
Search UniChem for chemical match using the InChIKey UJJUKZPBUMCSJZ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone UJJUKZPBUMCSJZ
Comments
PFK15 is a small molecule inhibitor of the metabolic sugar phosphatase PFKFB3 initially investigated for anti-cancer effects [1], and more recently predicted to be of clinical benefit in the management of joint destruction in rheumatoid arthritis [2].