Ac-VEID-CHO

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Ligands
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

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

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.

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.