esomeprazole

Ligand id: 5488

Name: esomeprazole

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 96.31
Molecular weight 345.11
XLogP 0.99
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (source: FDA (2001), EMA (2013))
IUPAC Name
6-methoxy-2-[(S)-(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole
International Nonproprietary Names
INN number INN
7766 esomeprazole
Synonyms
(S)-omeprazole
Nexium®
Database Links
CAS Registry No. 119141-88-7
ChEBI CHEBI:50275
ChEMBL Ligand CHEMBL1201320
DrugBank Ligand DB00736
Human Metabolome Database HMDB05009
PubChem CID 9568614
Search Google for chemical match using the InChIKey SUBDBMMJDZJVOS-DEOSSOPVSA-N
Search Google for chemicals with the same backbone SUBDBMMJDZJVOS
Search PubMed clinical trials esomeprazole
Search PubMed titles esomeprazole
Search PubMed titles/abstracts esomeprazole
Wikipedia Esomeprazole
Comments
This drug (the S enantiomer) is a component of the approved drug omeprazole, a racemic mixture of the R and S enantiomers. This drug is a potassium-transporting ATPase inhibitor, commonly referred to as a proton pump inhibitor.