General
Preferred name
ESOMEPRAZOLE SODIUM
Synonyms
(S)-Omeprazole sodium ()
Esomeprazole (sodium) ()
(S)-Omeprazole (sodium) ()
(-)-Omeprazole (sodium) ()
(S)-Omeprazole sodium, (-)-Omeprazole sodium ()
H199/18 Sodium ()
Esomeprazole (as sodium) ()
NEXIUM ()
Nexium Iv ()
P&D ID
PD056873
CAS
161796-78-7
Tags
available
prodrug
drug
Drug Status
approved
Max Phase
Phase 4
First approval
2005
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
4
ChEMBL Approved Drugs
ChEMBL Drugs
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
15
Properties
(calculated by RDKit )
Molecular Weight
367.1
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
0
Rotatable Bonds
5
Ring Count
3
Aromatic Ring Count
3
cLogP
2.3
TPSA
66.24
Fraction CSP3
0.29
Chiral centers
1.0
Largest ring
6.0
QED
0.65
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Anti-infection
Membrane Transporter/Ion Channel
Target
Bacterial
Proton Pump
ATPase
Source data
