M826

Ligand id: 8654

Name: M826

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 19
Topological polar surface area 157.97
Molecular weight 575.34
XLogP 2.86
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[2-[5-tert-butyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]butanoylamino]-5-(hexyl-methylamino)-4-oxopentanoic acid
Synonyms
compound 4sx [1]
Database Links
ChEMBL Ligand CHEMBL1184755
PubChem CID 9851134
Search Google for chemical match using the InChIKey XIMITGPWYYFUQF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XIMITGPWYYFUQF
Search UniChem for chemical match using the InChIKey XIMITGPWYYFUQF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone XIMITGPWYYFUQF
Comments
The structure and function of M826 is reported by Han et al. (2005) [1]. M826 inhibits the activity of human recombinant caspase in vitro.