Details
Stereochemistry | ACHIRAL |
Molecular Formula | C17H19N3O2S |
Molecular Weight | 329.417 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=CC=C2NC(SCC3=NC=C(C)C(OC)=C3C)=NC2=C1
InChI
InChIKey=XURCIPRUUASYLR-UHFFFAOYSA-N
InChI=1S/C17H19N3O2S/c1-10-8-18-15(11(2)16(10)22-4)9-23-17-19-13-6-5-12(21-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
Molecular Formula | C17H19N3O2S |
Molecular Weight | 329.417 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL4080 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18818070 |
3.9 µM [EC50] | ||
Target ID: CHEMBL3622 |
9.7 µM [IC50] |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
PubMed
Title | Date | PubMed |
---|---|---|
Role of CYP3A4 in the regulation of the aryl hydrocarbon receptor by omeprazole sulphide. | 2006 May |
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Solubility of Omeprazole Sulfide in Different Solvents at the Range of 280.35-319.65 K. | 2013 |
|
Regioselective C-H hydroxylation of omeprazole sulfide by Bacillus megaterium CYP102A1 to produce a human metabolite. | 2017 Jan |
Sample Use Guides
Omeprazole sulfide was evaluated as direct-acting and MDI of CYP2C19 activity (S-mephenytoin 4´-hydroxylation) in pooled human liver microsomes (0.1 mg/mL) at a substrate concentration approximately equal to the Km (40 uM). Omeprazole sulfide has been shown to be a direct-acting inhibitor of CYP2C19 in pooled human liver microsomes with IC50 value of 9.7 uM.
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:30:49 GMT 2023
by
admin
on
Fri Dec 15 15:30:49 GMT 2023
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Record UNII |
6FFV1V867C
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Record Status |
Validated (UNII)
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Record Version |
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NCI_THESAURUS |
C29723
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155794
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DTXSID7057816
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SUB11376MIG
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100000076658
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CHEMBL892
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73590-85-9
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6FFV1V867C
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C76913
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Related Record | Type | Details | ||
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PARENT -> METABOLITE |
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PARENT -> IMPURITY |
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PARENT -> IMPURITY |
UNSPECIFIED
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ACTIVE MOIETY |