OMEPRAZOLE MAGNESIUM

Search structure
Synonyms:
Status: Approved (2003)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 426QFE7XLK

Structure
InChI Key KWORUUGOSLYAGD-UHFFFAOYSA-N
Smile COc1ccc2[n-]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.COc1ccc2[n-]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.[Mg+2]
InChI
InChI=1S/2C17H18N3O3S.Mg/c2*1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;/h2*5-8H,9H2,1-4H3;/q2*-1;+2

Physicochemical Descriptors

Property Name Value
Molecular Formula C34H36MgN6O6S2
Molecular Weight 713.14
AlogP 2.9
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 77.1
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 24.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Potassium-transporting ATPase inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 9.61-16.13

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Gastroesophageal Reflux 3 D005764 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 94401
ChEMBL CHEMBL1567328
FDA SRS 426QFE7XLK
PubChem 5311083
SureChEMBL SCHEMBL722792
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