inhibitor 19 [PMID: 21476495]

Ligand id: 8621

Name: inhibitor 19 [PMID: 21476495]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 6
Rotatable bonds 8
Topological polar surface area 170.85
Molecular weight 536.26
XLogP 3.43
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[2-[[[(2S,6S,9E,13S)-13-amino-2-[(4-hydroxyphenyl)methyl]-4,14-dioxo-1,5-diazacyclotetradec-9-ene-6-carbonyl]amino]methyl]phenyl]acetic acid
Database Links
ChEMBL Ligand CHEMBL1782887
PubChem CID 53259050
Search Google for chemical match using the InChIKey QUJXIMWUJGTUEG-CLKUPZDLSA-N
Search Google for chemicals with the same backbone QUJXIMWUJGTUEG
Search UniChem for chemical match using the InChIKey QUJXIMWUJGTUEG-CLKUPZDLSA-N
Search UniChem for chemicals with the same backbone QUJXIMWUJGTUEG
Comments
Inhibitor 19 is a macrocyclic analogue of angiotensin IV (AT4) reported to potently inhibit leucyl/cystinyl aminopeptidase (LNPEP) [1]. LNPEP (IRAP) inhibitors are being investigated as potential therapeutics utilising a novel mechanism to treat memory dysfunction [2-4].