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)
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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