KEGG   DRUG: D04056Help
Entry
D04056                      Drug                                   

Name
Esomeprazole sodium (USAN);
Nexium IV (TN)
Product
  Generic
Formula
C17H18N3O3S. Na
Exact mass
367.0967
Mol weight
367.3979
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Gastric acid secretion 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
      D04056  Esomeprazole sodium (USAN)
USP drug classification [BR:br08302]
 Gastrointestinal Agents
  Proton Pump Inhibitors
   Esomeprazole
    D04056  Esomeprazole sodium (USAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   H+/K+ exchanging, polypeptide
    Esomeprazole
     D04056  Esomeprazole sodium (USAN)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP2C19
   Esomeprazole
    D04056  Esomeprazole sodium (USAN)
  CYP3A4
   Esomeprazole
    D04056  Esomeprazole sodium (USAN)
 Inhbitors
  CYP2C19
   Esomeprazole
    D04056  Esomeprazole sodium (USAN)
 Inducers
  CYP1A2
   Esomeprazole
    D04056  Esomeprazole sodium (USAN)
Genomic biomarkers [br08341.html]
 Polymorphisms and germline mutations
  D04056
BRITE hierarchy
Other DBs
CAS: 
161796-78-7
PubChem: 
DrugBank: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        25
            1   C8x C    22.6302  -20.2561
            2   C8y C    22.6302  -21.6581
            3   C8x C    23.8480  -22.3555
            4   C8x C    23.8480  -19.5516
            5   C8y C    25.0590  -20.2561
            6   C8y C    25.0531  -21.6615
            7   N5x N    26.3882  -22.0992
            8   C8y C    27.2216  -20.9643
            9   N4x N    26.3975  -19.8226 #-
            10  S4a S    28.6112  -20.9607
            11  C1b C    29.3087  -22.2423
            12  C8y C    30.7035  -22.2423
            13  C8y C    31.4043  -23.4514
            14  C8y C    32.7992  -23.4514
            15  C8y C    33.4933  -22.2423
            16  C8x C    32.7992  -21.0334
            17  N5x N    31.4043  -21.0334
            18  C1a C    34.8950  -22.2423
            19  O2a O    33.4966  -24.6663
            20  C1a C    34.8986  -24.6663
            21  C1a C    30.6999  -24.6663
            22  O3c O    29.3063  -19.8142
            23  O2a O    21.4225  -22.3560
            24  C1a C    20.2072  -21.6593
            25  Z   Na   26.3882  -17.7090 #+
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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