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Compound Detail

CHEMBL1200470

ESOMEPRAZOLE SODIUM
💊 Approved Drug
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💊 Approved Drug
COc1ccc2[n-]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.[Na+]

Basic Information

ChEMBL ID CHEMBL1200470
Name ESOMEPRAZOLE SODIUM
Phase Approved
Structure Type MOL
InChI Key RYXPMWYHEBGTRV-JIDHJSLPSA-N
Therapeutic ✓ Yes
Parent Compound CHEMBL1201320
Active Moiety CHEMBL1201400

Known Names

Esomeprazole (as sodium) Esomeprazole sodium H199/18 SODIUM Nexium iv
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
4
Known Names
3
Indications
1
Mechanisms

Molecular Properties

345.4
MW (Da)
2.90
ALogP
5
HBA
1
HBD
83.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2005
Availability Prescription
Chirality Single Enantiomer

Routes of Administration

Parenteral

Flags

Prodrug
USAN Stem -prazole
USAN Year 2003

Extended Properties

Molecular Formula C17H18N3NaO3S
MW 367.41
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.69

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Potassium-transporting ATPase inhibitor INHIBITOR Potassium-transporting ATPase

Indications

Duodenal Ulcer Gastroesophageal Reflux Peptic Ulcer

Literature References

PubMed DOI Target Context # Activities
28512024 10.1016/j.bmcl.2017.05.010 Cytosolic endo-beta-N-acetylglucosaminidase 1

Data from ChEMBL 36 via Core Engine