KEGG   DRUG: D09339Help
Entry
D09339                      Drug                                   

Name
Esomeprazole potassium (USAN)
Formula
C17H18N3O3S. K
Exact mass
383.0706
Mol weight
383.5064
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of GERD patients with a history of erosive esophagitis
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
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
     A02BC05 Esomeprazole
      D09339  Esomeprazole potassium (USAN)
USP drug classification [BR:br08302]
 Gastrointestinal Agents
  Proton Pump Inhibitors
   Esomeprazole
    D09339  Esomeprazole potassium (USAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   H+/K+ exchanging, polypeptide
    Esomeprazole
     D09339  Esomeprazole potassium (USAN)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP2C19
   Esomeprazole
    D09339  Esomeprazole potassium (USAN)
  CYP3A4
   Esomeprazole
    D09339  Esomeprazole potassium (USAN)
 Inhbitors
  CYP2C19
   Esomeprazole
    D09339  Esomeprazole potassium (USAN)
 Inducers
  CYP1A2
   Esomeprazole
    D09339  Esomeprazole potassium (USAN)
BRITE hierarchy
Other DBs
CAS: 
161796-84-5
PubChem: 
DrugBank: 
LigandBox: 
KCF data Show

ATOM        25
            1   C8x C    18.6200  -21.0000
            2   C8y C    18.6200  -22.4000
            3   C8x C    19.8800  -23.1000
            4   C8x C    19.8800  -20.3000
            5   C8y C    21.0700  -21.0000
            6   C8y C    21.0700  -22.4000
            7   N5x N    22.4000  -22.8900
            8   C8y C    23.2400  -21.7000
            9   N4x N    22.4000  -20.5800 #-
            10  S4a S    24.6400  -21.7000
            11  C1b C    25.3400  -23.0300
            12  C8y C    26.7400  -23.0300
            13  C8y C    27.4400  -24.2200
            14  C8y C    28.8400  -24.2200
            15  C8y C    29.4700  -23.0300
            16  C8x C    28.8400  -21.7700
            17  N5x N    27.4400  -21.7700
            18  C1a C    30.9400  -23.0300
            19  O2a O    29.5400  -25.4100
            20  C1a C    30.9400  -25.4100
            21  C1a C    26.7400  -25.4100
            22  O3c O    25.3400  -20.5800
            23  O2a O    17.4300  -23.1000
            24  C1a C    16.2400  -22.4000
            25  Z   K    22.1200  -18.8300 #+
BOND        26
            1     2   3 1
            2    23  24 1
            3     8  10 1
            4     3   6 2
            5    10  11 1 #Up
            6     5   4 2
            7    11  12 1
            8     4   1 1
            9    12  13 2
            10   13  14 1
            11   14  15 2
            12   15  16 1
            13   16  17 2
            14   17  12 1
            15    1   2 2
            16   15  18 1
            17    5   6 1
            18   14  19 1
            19    6   7 1
            20   19  20 1
            21    7   8 2
            22   13  21 1
            23    8   9 1
            24   10  22 2
            25    9   5 1
            26    2  23 1

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