KEGG   DRUG: D07917Help
Entry
D07917                      Drug                                   

Name
Esomeprazole (INN);
Inexium paranova (TN)
Formula
C17H19N3O3S
Exact mass
345.1147
Mol weight
345.4161
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Enzyme  inhibitor;
(H+ K+)ATPase;
Gastric secretory inhibitor
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
     A02BC05 Esomeprazole
      D07917  Esomeprazole (INN)
USP drug classification [BR:br08302]
 Gastrointestinal Agents
  Proton Pump Inhibitors
   Esomeprazole
    D07917  Esomeprazole (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   H+/K+ exchanging, polypeptide
    Esomeprazole
     D07917  Esomeprazole (INN)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP2C19
   Esomeprazole
    D07917  Esomeprazole (INN)
  CYP3A4
   Esomeprazole
    D07917  Esomeprazole (INN)
 Inhbitors
  CYP2C19
   Esomeprazole
    D07917  Esomeprazole (INN)
 Inducers
  CYP1A2
   Esomeprazole
    D07917  Esomeprazole (INN)
BRITE hierarchy
Other DBs
CAS: 
119141-88-7
PubChem: 
DrugBank: 
LigandBox: 
KCF data Show

ATOM        24
            1   C8x C    21.3644  -16.5406
            2   C8y C    21.3644  -17.9366
            3   C8x C    22.6208  -18.6345
            4   C8x C    22.6208  -15.8427
            5   C8y C    23.8073  -16.5406
            6   C8y C    23.8073  -17.9366
            7   N5x N    25.1334  -18.4251
            8   C8y C    25.9710  -17.2386
            9   N4x N    25.1334  -16.1219
            10  S4a S    27.3669  -17.2384
            11  C1b C    28.0649  -18.5647
            12  C8y C    29.4608  -18.5647
            13  C8y C    30.1588  -19.7513
            14  C8y C    31.5547  -19.7513
            15  C8y C    32.1829  -18.5647
            16  C8x C    31.5547  -17.3084
            17  N5x N    30.1588  -17.3084
            18  C1a C    33.6486  -18.5647
            19  O2a O    32.2527  -20.9378
            20  C1a C    33.6486  -20.9378
            21  C1a C    29.4608  -20.9378
            22  O3c O    28.0649  -16.1219
            23  O2a O    20.1778  -18.6345
            24  C1a C    18.9912  -17.9366
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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