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
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
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.