Omeprazole - Compound Summary (CID 4594)
A highly effective inhibitor of gastric acid secretion used in the therapy of STOMACH ULCERS and ZOLLINGER-ELLISON SYNDROME. The drug inhibits the H(+)-K(+)-ATPase (H(+)-K(+)-EXCHANGING ATPASE) in the proton pump of GASTRIC PARIETAL CELLS.
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 Drug and Chemical Information: (Total:1)
Medication Information
The active ingredient in PRILOSEC (omeprazole) Delayed-Release Capsules is a substituted benzimidazole, 5-methoxy-2-[[(4-methoxy-3, 5-dimethyl-2-pyridinyl) methyl] sulfinyl]-1H-benzimidazole, a compound that inhibits gastric acid  The active ingredient in Omeprazole Delayed-Release Capsules is a substituted benzimidazole, 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl) methyl] sulfinyl]-1H-benzimidazole, a compound that inhibits gastric acid secretion. Its Safety and Toxicology
HSDB - Peer-reviewed summary of toxicity and biomedical effects | CCRIS - Carcinogenicity, tumor promotion, tumor inhibition, and mutagenicity tests | TOXLINE - Citations to the toxicological literature | LactMed - Information on chemicals that breastfeeding mothers may be exposed | ClinicalTrials.gov - Registry of federal and private clinical trials | ClinicalTrials.gov - Registry of federal and private clinical trials |
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 BioActivity Results:
Tested in BioAssays: All: 285 Active: 14 Inactive: 264
BioActivity Summary: This Compound with Similar Compounds
AID: 1460 Source: NCGC
qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding
AID: 1417 Source: Emory University Molecular Libraries Screening Center
Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibitors
AID: 1220 Source: Burnham Center for Chemical Genomics
HTS identification of compounds inhibiting phosphomannose isomerase (PMI) via a fluorescence intensity assay using a high concentration of mannose 6-phosphate
AID: 1209 Source: Burnham Center for Chemical Genomics
HTS identification of compounds inhibiting phosphomannose isomerase (PMI) via a fluorescence intensity assay.
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 Properties Computed from Structure:
| Molecular Weight | 345.41606 [g/mol] | | Molecular Formula | C17H19N3O3S | | XLogP3 | 2.2 | | H-Bond Donor | 1 | | H-Bond Acceptor | 6 | | Rotatable Bond Count | 5 | | Tautomer Count | 2 | | Exact Mass | 345.114712 | | MonoIsotopic Mass | 345.114712 | | Topological Polar Surface Area | 77.1 | | Heavy Atom Count | 24 | | Formal Charge | 0 | | Complexity | 453 | | Isotope Atom Count | 0 | | Defined Atom StereoCenter Count | 0 | | Undefined Atom StereoCenter Count | 1 | | Defined Bond StereoCenter Count | 0 | | Undefined Bond StereoCenter Count | 0 | | Covalently-Bonded Unit Count | 1 |
Descriptors Computed from Structure:
IUPAC Name: 6-methoxy-2-[(4-methoxy-3, 5-dimethylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole
Canonical SMILES: CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC
InChI: InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-
12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
InChIKey: SUBDBMMJDZJVOS-UHFFFAOYSA-N
Compound Information:
 Substance Information:
Substances:
All: 251 Links Same structure: 61 Links Mixture: 190 LinksCategory: [for same structure substances]
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| Compound ID | 4594 |
| | Molecular Weight | 345.41606 [g/mol] |
| | Molecular Formula | C17H19N3O3S |
| | XLogP3 | 2.2 |
| | H-Bond Donor | 1 |
| | H-Bond Acceptor | 6 |
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