KEGG   DRUG: D05259Help
Entry
D05259                      Drug                                   

Name
Omeprazole magnesium (USAN);
Prilosec OTC (TN)
Product
Formula
(C17H18N3O3S)2. Mg
Exact mass
712.1988
Mol weight
713.1212
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Gastric and secretory depressant [DS:H00045]
Remark
ATC code: 
Drug group: 
Comment
proton pump inhibitor
Target
H+/K+ exchanging, alpha polypeptide inhibitor [HSA:495] [KO:K01542];
H+/K+ exchanging, beta polypeptide inhibitor [HSA:496] [KO:K01543]
  Pathway
hsa00190  Oxidative phosphorylation
hsa04966  Collecting duct acid secretion
hsa04971  Gastric acid secretion  
 
Metabolism
Enzyme: CYP2C19 [HSA:1557], CYP3A4 [HSA:1576]
Interaction
Genomic biomarker: CYP2C19 [HSA:1557]
CYP induction: CYP1A2 [HSA:1544]
CYP inhibition: CYP2C19 [HSA:1557]
Drug interaction
Structure map
Antiulcer drugs
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 (USAN)
USP drug classification [BR:br08302]
 Gastrointestinal Agents
  Proton Pump Inhibitors
   Omeprazole
    D05259  Omeprazole magnesium (USAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   H+/K+ exchanging, polypeptide
    Omeprazol
     D05259  Omeprazole magnesium (USAN)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP2C19
   Omeprazole
    D05259  Omeprazole magnesium (USAN)
  CYP3A4
   Omeprazole
    D05259  Omeprazole magnesium (USAN)
 Inhbitors
  CYP2C19
   Omeprazole
    D05259  Omeprazole magnesium (USAN)
 Inducers
  CYP1A2
   Omeprazole
    D05259  Omeprazole magnesium (USAN)
BRITE hierarchy
Other DBs
CAS: 
95382-33-5
PubChem: 
DrugBank: 
LigandBox: 
KCF data Show

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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