Ac-VEID-CHO

Ligand id: 8566

Name: Ac-VEID-CHO

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 6
Rotatable bonds 20
Topological polar surface area 208.07
Molecular weight 500.25
XLogP -0.4
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(4S)-4-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
Synonyms
acetyl-Val-Ile-Asp-aldehyde
Comments
Ac-VEID-CHO is reported as an inhibitor of caspase 6 (CASP6) [1]. Caspase 6 has been investigated as a potential drug target for the treatment of Parkinson's disease, based on the role of the enzyme in mediating the cleavage of the huntingtin protein into toxic fragments.
Database Links
ChEMBL Ligand CHEMBL478081
GtoPdb PubChem SID 252166767
PubChem CID 15487887
Search Google for chemical match using the InChIKey KYUFGGNCJRWMDN-GOYXDOSHSA-N
Search Google for chemicals with the same backbone KYUFGGNCJRWMDN
Search UniChem for chemical match using the InChIKey KYUFGGNCJRWMDN-GOYXDOSHSA-N
Search UniChem for chemicals with the same backbone KYUFGGNCJRWMDN