fascaplysin

Ligand id: 5969

Name: fascaplysin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 36.74
Molecular weight 271.09
XLogP 4.35
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
Database Links
CAS Registry No. 132911-47-8
ChEMBL Ligand CHEMBL602937
PubChem CID 73293
Search Google for chemical match using the InChIKey WYQIPCUPNMRAKP-UHFFFAOYSA-O
Search Google for chemicals with the same backbone WYQIPCUPNMRAKP
Comments
Fascaplysin is a selective CDK4/cyclin D1 inhibitor [3]. The compound binds to the ATP pocket of the kinase.