KEGG   DRUG: Omeprazole sodium injection
Entry
D05261                      Drug                                   

Name
Omeprazole sodium injection (JAN);
Omeprazole sodium hydrate;
Omepral (TN)
Formula
C17H18N3O3S. Na. H2O
Exact mass
385.1072
Mol weight
385.4132
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
Therapeutic category: 2329
ATC code: A02BC01
Chemical structure group: DG00020
Product (DG00020): D00455<JP/US> D05261<JP> D05259<US>
Efficacy
Antisecretory (gastric acid), Anti-ulcerative, 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
      D05261  Omeprazole sodium injection (JAN) <JP>
USP drug classification [BR:br08302]
 Gastrointestinal Agents
  Proton Pump Inhibitors
   Omeprazole
    D05261  Omeprazole sodium injection (JAN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  23  Digestive organ agents
   232  Peptic ulcer agents
    2329  Others
     D05261  Omeprazole sodium injection (JAN)
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01975  Agents for peptic ulcer
   DG01646  Proton pump inhibitor (PPI)
    DG00020  Omeprazole
     D05261  Omeprazole sodium injection
 Metabolizing enzyme substrate
  DG01639  CYP2C19 substrate
   DG00020  Omeprazole
    D05261  Omeprazole sodium injection
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00020  Omeprazole
     D05261  Omeprazole sodium injection
Drug classes [BR:br08332]
 Gastrointestinal agent
  DG01646  Proton pump inhibitor (PPI)
   D05261  Omeprazole sodium injection
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   ATPase
    ATP4
     D05261  Omeprazole sodium injection (JAN) <JP>
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D05261
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D05261
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
PubChem: 17398263
DrugBank: DB00338
LigandBox: D05261
KCF data

ATOM        26
            1   O0  O    35.3501  -17.9200
            2   C8x C    22.6100  -20.1600
            3   C8y C    22.6100  -21.5600
            4   C8x C    23.8700  -22.2600
            5   C8y C    25.0600  -21.5600
            6   C8y C    25.0600  -20.1600
            7   C8x C    23.8700  -19.4600
            8   N5x N    26.3900  -21.9800
            9   C8y C    27.2300  -20.8600
            10  N4x N    26.3900  -19.7400 #-
            11  S4a S    28.6300  -20.8600
            12  O2a O    21.3500  -22.2600
            13  C1a C    20.1600  -21.5600
            14  C1b C    29.3300  -22.0500
            15  O3c O    29.3300  -19.6700
            16  C8y C    30.7300  -22.0500
            17  C8y C    31.4300  -23.2400
            18  C8y C    32.9000  -23.2400
            19  C8y C    33.6000  -22.0500
            20  C8x C    32.9000  -20.8600
            21  N5x N    31.4300  -20.8600
            22  C1a C    35.0000  -22.0500
            23  O2a O    33.6000  -24.5000
            24  C1a C    35.0000  -24.5000
            25  C1a C    30.7300  -24.4300
            26  Z   Na   27.5800  -17.7800 #+
BOND        26
            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

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