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]
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.
Database Links
ChEMBL Ligand CHEMBL1184755
GtoPdb PubChem SID 252166854
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