compound 9 [PMID: 23472952]

Ligand id: 9017

Name: compound 9 [PMID: 23472952]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 9
Topological polar surface area 107.02
Molecular weight 286.21
XLogP -2.09
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2R)-2-amino-6-borono-2-(2-piperidin-1-ylethyl)hexanoic acid
Synonyms
arginase inhibitor 1
Database Links
BindingDB Ligand 50427900
CAS Registry No. 1345808-25-4 (source: PubChem)
ChEMBL Ligand CHEMBL2326089
PubChem CID 66833213
Search Google for chemical match using the InChIKey CHPILBYRQPOXMV-CYBMUJFWSA-N
Search Google for chemicals with the same backbone CHPILBYRQPOXMV
Search UniChem for chemical match using the InChIKey CHPILBYRQPOXMV-CYBMUJFWSA-N
Search UniChem for chemicals with the same backbone CHPILBYRQPOXMV
SynPHARM 83383 (in complex with Arginase I)
83384 (in complex with Arginase II)
Comments
Compound 9 is an experimental compound which inhibits the activity of arginases 1 and 2, (ARG1, ARG2) [1]. In a rat model of myocardial ischemia/reperfusion injury (MI/RI), compound 9 reduces cardiac reperfusion injury [1].