mercaptoacrylate inhibitor of calpain 1

Ligand id: 8570

Name: mercaptoacrylate inhibitor of calpain 1

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 91.89
Molecular weight 296.95
XLogP 2.85
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(Z)-3-(5-bromo-1H-indol-3-yl)-2-sulfanylprop-2-enoic acid
Database Links
ChEMBL Ligand CHEMBL3221938
PubChem CID 90668184
Search Google for chemical match using the InChIKey RLEKFRNXGFHPHZ-KMKOMSMNSA-N
Search Google for chemicals with the same backbone RLEKFRNXGFHPHZ
Search UniChem for chemical match using the InChIKey RLEKFRNXGFHPHZ-KMKOMSMNSA-N
Search UniChem for chemicals with the same backbone RLEKFRNXGFHPHZ
Comments
This compound is reported to inhibit porcine calpain 1 [1].