KEGG   DRUG: Omeprazole sodium
Entry
D01207                      Drug                                   

Name
Omeprazole sodium (USAN);
Losec sodium (TN)
Formula
C17H18N3O3S. Na
Exact mass
367.0967
Mol weight
367.3979
Structure
Simcomp
Class
Gastrointestinal agent
 DG01646  Proton pump inhibitor (PPI)
 DG01975  Agents for peptic ulcer
  DG01646  Proton pump inhibitor (PPI)
Metabolizing enzyme substrate
 DG01639  CYP2C19 substrate
 DG02913  CYP3A4 substrate
Remark
ATC code: A02BC01
Chemical structure group: DG00020
Product (DG00020): D00455<JP/US> D05261<JP> D05259<US>
Efficacy
Antisecretory (gastric acid), Proton pump inhibitor
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
      D01207  Omeprazole sodium (USAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   ATPase
    ATP4
     D01207  Omeprazole sodium (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D01207
Other DBs
CAS: 95510-70-6
PubChem: 7848270
ChEBI: 31934
ChEMBL: CHEMBL2105294
DrugBank: DB00338
LigandBox: D01207
LinkDB
KCF data

ATOM        25
            1   C8x C    22.6800  -19.3200
            2   C8y C    22.6800  -20.7200
            3   C8x C    23.9400  -21.4200
            4   C8y C    25.1300  -20.7200
            5   C8y C    25.1300  -19.3200
            6   C8x C    23.9400  -18.6200
            7   N5x N    26.4600  -21.1400
            8   C8y C    27.3000  -20.0200
            9   N4x N    26.4600  -18.9000 #-
            10  S4a S    28.7000  -20.0200
            11  O2a O    21.4200  -21.4200
            12  C1a C    20.2300  -20.7200
            13  C1b C    29.4000  -21.2100
            14  O3c O    29.4000  -18.8300
            15  C8y C    30.8000  -21.2100
            16  C8y C    31.5000  -22.4000
            17  C8y C    32.9000  -22.4000
            18  C8y C    33.6000  -21.2100
            19  C8x C    32.9000  -20.0200
            20  N5x N    31.5000  -20.0200
            21  C1a C    35.0000  -21.2100
            22  O2a O    33.6000  -23.6600
            23  C1a C    35.0000  -23.6600
            24  C1a C    30.8000  -23.5900
            25  Z   Na   27.6500  -16.9400 #+
BOND        26
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    5   9 1
            11    8  10 1
            12    2  11 1
            13   11  12 1
            14   10  13 1
            15   10  14 2
            16   13  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   15  20 1
            23   18  21 1
            24   17  22 1
            25   22  23 1
            26   16  24 1

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