compound 19 [PMID: 8831774]

Ligand id: 8569

Name: compound 19 [PMID: 8831774]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 17
Topological polar surface area 133.83
Molecular weight 497.25
XLogP 5.87
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
benzyl N-[1-[[1-[(2-hydroxy-2-phenylethyl)amino]-1,2-dioxopentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
Synonyms
Z-Leu-Abu-CONH-CH2-CHOH-Ph
Database Links
ChEMBL Ligand CHEMBL130506
GtoPdb PubChem SID 252166770
PubChem CID 44353781
Search Google for chemical match using the InChIKey CZZWUFZBGQIPTE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone CZZWUFZBGQIPTE
Search UniChem for chemical match using the InChIKey CZZWUFZBGQIPTE-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone CZZWUFZBGQIPTE
Comments
This compound is reported to inhibit the activity of calpain 2 (CAPN2) [1].