KEGG   DRUG: Omeprazole magnesium
Entry
D05259                      Drug                                   
Name
Omeprazole magnesium (USP);
Prilosec OTC (TN)
Product
Formula
(C17H18N3O3S)2. Mg
Exact mass
712.1988
Mol weight
713.13
Structure
Simcomp
Class
Gastrointestinal agent
 DG01975  Agents for peptic ulcer
  DG01646  Proton pump inhibitor (PPI)
Metabolizing enzyme substrate
 DG01639  CYP2C19 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
ATC code: A02BC01
Chemical structure group: DG00020
Product (DG00020): D00455<JP/US> D05261<JP> D05259<US>
Product (mixture): D11858<US>
Efficacy
Antisecretory (gastric acid), Proton pump inhibitor
  Disease
Duodenal ulcer [DS:H01634]
Helicobacter pylori eradication [DS:H00320]
Gastric ulcer [DS:H01634]
Gastroesophageal reflux disease [DS:H01602]
Zollinger-Ellison syndrome [DS:H01522]
Comment
Benzimidazole derivative
Target
ATP4 [HSA:495 496] [KO:K01542 K01543]
  Pathway
hsa04966  Collecting duct acid secretion
hsa04971  Gastric acid secretion
Metabolism
Enzyme: CYP2C19 [HSA:1557]; CYP3A4 [HSA:1576]
Interaction
Structure map
map07038  Antiulcer drugs
map07233  Ion transporter inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A02 DRUGS FOR ACID RELATED DISORDERS
   A02B DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
    A02BC Proton pump inhibitors
     A02BC01 Omeprazole
      D05259  Omeprazole magnesium (USP) <US>
USP drug classification [BR:br08302]
 Gastrointestinal Agents
  Proton Pump Inhibitors
   Omeprazole
    D05259  Omeprazole magnesium (USP)
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01975  Agents for peptic ulcer
   DG01646  Proton pump inhibitor (PPI)
    DG00020  Omeprazole
     D05259  Omeprazole magnesium
 Metabolizing enzyme substrate
  DG01639  CYP2C19 substrate
   DG00020  Omeprazole
    D05259  Omeprazole magnesium
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00020  Omeprazole
     D05259  Omeprazole magnesium
Drug classes [BR:br08332]
 Gastrointestinal agent
  DG01646  Proton pump inhibitor (PPI)
   D05259  Omeprazole magnesium
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   ATPase
    ATP4
     D05259  Omeprazole magnesium (USP) <US>
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D05259
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D05259
Rx-to-OTC switch list in the USA [br08315.html]
 D05259
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01975  Agents for peptic ulcer
   DG01646  Proton pump inhibitor (PPI)
    DG00020  Omeprazole
 Metabolizing enzyme substrate
  DG01639  CYP2C19 substrate
   DG00020  Omeprazole
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00020  Omeprazole
Other DBs
CAS: 95382-33-5
PubChem: 17398261
LigandBox: D05259
LinkDB
KCF data

ATOM        49
            1   Z   Mg   39.5425  -21.5845 #2+
            2   C8x C    22.6100  -19.3200
            3   C8y C    22.6100  -20.7200
            4   C8x C    23.8700  -21.4200
            5   C8y C    25.0600  -20.7200
            6   C8y C    25.0600  -19.3200
            7   C8x C    23.8700  -18.6200
            8   N5x N    26.3900  -21.1400
            9   C8y C    27.2300  -20.0200
            10  N4x N    26.3900  -18.9000 #-
            11  S4a S    28.6300  -20.0200
            12  O2a O    21.3500  -21.4200
            13  C1a C    20.1600  -20.7200
            14  C1b C    29.3300  -21.2100
            15  O3c O    29.3300  -18.8300
            16  C8y C    30.7300  -21.2100
            17  C8y C    31.4300  -22.4000
            18  C8y C    32.9000  -22.4000
            19  C8y C    33.6000  -21.2100
            20  C8x C    32.9000  -20.0200
            21  N5x N    31.4300  -20.0200
            22  C1a C    35.0000  -21.2100
            23  O2a O    33.6000  -23.6600
            24  C1a C    35.0000  -23.6600
            25  C1a C    30.7300  -23.5900
            26  C8x C    22.6100  -19.3200
            27  C8y C    22.6100  -20.7200
            28  C8x C    23.8700  -21.4200
            29  C8y C    25.0600  -20.7200
            30  C8y C    25.0600  -19.3200
            31  C8x C    23.8700  -18.6200
            32  N4x N    26.3900  -18.9000 #-
            33  C8y C    27.2300  -20.0200
            34  N5x N    26.3900  -21.1400
            35  S4a S    28.6300  -20.0200
            36  C1b C    29.3300  -21.2100
            37  C8y C    30.7300  -21.2100
            38  C8y C    31.4300  -22.4000
            39  C8y C    32.9000  -22.4000
            40  C8y C    33.6000  -21.2100
            41  C8x C    32.9000  -20.0200
            42  N5x N    31.4300  -20.0200
            43  C1a C    35.0000  -21.2100
            44  O2a O    33.6000  -23.6600
            45  C1a C    35.0000  -23.6600
            46  C1a C    30.7300  -23.5900
            47  O3c O    29.3300  -18.8300
            48  O2a O    21.3500  -21.4200
            49  C1a C    20.1600  -20.7200
BOND        52
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 2
            6     2   7 1
            7     5   8 1
            8     8   9 2
            9     9  10 1
            10    6  10 1
            11    9  11 1
            12    3  12 1
            13   12  13 1
            14   11  14 1
            15   11  15 2
            16   14  16 1
            17   16  17 2
            18   17  18 1
            19   18  19 2
            20   19  20 1
            21   20  21 2
            22   16  21 1
            23   19  22 1
            24   18  23 1
            25   23  24 1
            26   17  25 1
            27   26  27 2
            28   27  28 1
            29   28  29 2
            30   29  30 1
            31   30  31 2
            32   26  31 1
            33   29  34 1
            34   34  33 2
            35   33  32 1
            36   30  32 1
            37   33  35 1
            38   27  48 1
            39   48  49 1
            40   35  36 1
            41   35  47 2
            42   36  37 1
            43   37  38 2
            44   38  39 1
            45   39  40 2
            46   40  41 1
            47   41  42 2
            48   37  42 1
            49   40  43 1
            50   39  44 1
            51   44  45 1
            52   38  46 1
BRACKET     1    18.2700  -25.0600   18.2700  -17.1500
            1    37.1700  -17.1500   37.1700  -25.0600
            1  2
 ORIGINAL  1    2   3   4   5   6   7  10   9   8  11  14  16  17  18  19  20
            1   21  22  23  24  25  15  12  13
 REPEAT    1   26  27  28  29  30  31  32  33  34  35  36  37  38  39  40  41
            1   42  43  44  45  46  47  48  49

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