remodelin

Ligand id: 8102

Name: remodelin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 89.31
Molecular weight 282.09
XLogP 3.86
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[2-(2-cyclopentylidenehydrazinyl)-1,3-thiazol-4-yl]benzonitrile
Database Links
BindingDB Ligand 50326653
ChEMBL Ligand CHEMBL399572
PubChem CID 44442376
Search Google for chemical match using the InChIKey XAEJIFARBQJLML-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XAEJIFARBQJLML
Search UniChem for chemical match using the InChIKey XAEJIFARBQJLML-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone XAEJIFARBQJLML
Comments
Remodelin is a reported to be an inhibitor of acetyl-transferase NAT10 (Q9H0A0) and gets its name from its ability to restore nuclear morphology in lamin A-depleted cells.