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

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.

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