KEGG   DRUG: PantoprazoleHelp
Entry
D05353                      Drug                                   

Name
Pantoprazole (USAN/INN)
Formula
C16H15F2N3O4S
Exact mass
383.0751
Mol weight
383.3698
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Gastrointestinal agent
 DG01646  Proton pump inhibitor (PPI)
Cyp substrate
 DG01639  CYP2C19 substrate
Cyp inhibitor
Unclassified
  DG01646  Proton pump inhibitor (PPI)
Remark
Same as: 
ATC code: 
Chemical group: 
Activity
Anti-ulcerative, Proton pumb inhibitor
Comment
Benzimidazole derivative
Target
ATP4A [HSA:495] [KO:K01542];
ATP4B [HSA:496] [KO:K01543]
  Pathway
Oxidative phosphorylation
Collecting duct acid secretion
Gastric acid secretion
Metabolism
Enzyme: CYP2C19 [HSA:1557]
Interaction
Genomic biomarker: CYP2C19 [HSA:1557]
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
     A02BC02 Pantoprazole
      D05353  Pantoprazole (USAN/INN)
USP drug classification [BR:br08302]
 Gastrointestinal Agents
  Proton Pump Inhibitors
   Pantoprazole
    D05353  Pantoprazole (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   H+/K+ exchanging, polypeptide
    Pantoprazole
     D05353  Pantoprazole (USAN/INN)
Cytochrome P450 interactions [BR:br08309]
 CYP inhbitors
  CYP2C19
   Pantoprazole
    D05353  Pantoprazole (USAN/INN)
 CYP substrates
  CYP2C19
   Pantoprazole
    D05353  Pantoprazole (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
102625-70-7
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        26
            1   C8x C    13.5800  -22.8200
            2   C8y C    13.5800  -24.2200
            3   C8x C    14.7924  -24.9200
            4   C8y C    16.0049  -24.2200
            5   C8y C    16.0049  -22.8200
            6   C8x C    14.7924  -22.1200
            7   N5x N    17.3364  -24.6526
            8   C8y C    18.1593  -23.5200
            9   N4x N    17.3364  -22.3874
            10  S4a S    19.5300  -23.5200
            11  C1b C    20.2300  -24.7324
            12  O3c O    20.2300  -22.3076
            13  O2a O    12.3676  -24.9200
            14  C1c C    11.1721  -24.2296
            15  X   F     9.9847  -24.9151
            16  X   F    11.1720  -22.8203
            17  C8y C    21.6298  -24.7324
            18  C8y C    22.3203  -25.9280
            19  C8y C    23.7203  -25.9278
            20  C8x C    24.4201  -24.7153
            21  C8x C    23.7297  -23.5198
            22  N5x N    22.3297  -23.5199
            23  O2a O    21.6349  -27.1152
            24  C1a C    20.2302  -27.1154
            25  O2a O    24.4110  -27.1232
            26  C1a C    25.8296  -27.1232
BOND        28
            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   10  11 1
            13   10  12 2
            14    2  13 1
            15   13  14 1
            16   14  15 1
            17   14  16 1
            18   11  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   17  22 1
            25   18  23 1
            26   23  24 1
            27   19  25 1
            28   25  26 1

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