KEGG   DRUG: DexlansoprazoleHelp
Entry
D08903                      Drug                                   

Name
Dexlansoprazole (INN/USAN)
Product
Formula
C16H14F3N3O2S
Exact mass
369.0759
Mol weight
369.3615
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Gastrointestinal agent
 DG01646  Proton pump inhibitor (PPI)
 DG01975  Agents for peptic ulcer
  DG01646  Proton pump inhibitor (PPI)
Cyp substrate
 DG01639  CYP2C19 substrate
 DG01633  CYP3A substrate
Cyp inhibitor
 DG01933  CYP2C19 inhibitor
Remark
ATC code: A02BC06
Product: D08903<US>
Efficacy
Anti-ulcerative, Proton pump inhibitor
  Disease
Gastroesophageal reflux disease [DS:H01602]
Comment
Benzimidazole derivative
Target
ATP4 [HSA:495 496] [KO:K01542 K01543]
  Pathway
hsa04966  Collecting duct acid secretion
hsa04971  Gastric acid secretion
Metabolism
Enzyme: CYP2C19 [HSA:1557], CYP3A4 [HSA:1576]
Interaction
CYP inhibition: CYP2C19 [HSA:1557]
Drug interaction
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
     A02BC06 Dexlansoprazole
      D08903  Dexlansoprazole (INN/USAN) <US>
USP drug classification [BR:br08302]
 Gastrointestinal Agents
  Proton Pump Inhibitors
   Dexlansoprazole
    D08903  Dexlansoprazole (INN/USAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   ATPase
    ATP4
     D08903  Dexlansoprazole (INN/USAN) <US>
Drug classes of therapeutic agents [br08360.html]
 Gastrointestinal agents
  D08903
Pharmacogenomic biomarkers in FDA drug labels [br08341.html]
 Polymorphisms and germline mutations
  D08903
BRITE hierarchy
Other DBs
CAS: 138530-94-6
PubChem: 96025586
ChEMBL: CHEMBL1201863
LigandBox: D08903
LinkDB All DBs
KCF data Show

ATOM        25
            1   C8x C     8.1200  -19.9500
            2   C8x C     8.1200  -21.3500
            3   C8x C     9.3324  -22.0500
            4   C8y C    10.5449  -21.3500
            5   C8y C    10.5449  -19.9500
            6   C8x C     9.3324  -19.2500
            7   N5x N    11.8764  -21.7826
            8   C8y C    12.6993  -20.6500
            9   N4x N    11.8764  -19.5174
            10  S4a S    14.0700  -20.6500
            11  C1b C    14.7700  -21.8624
            12  O3c O    14.7700  -19.4376
            13  C8y C    16.1698  -21.8624
            14  C8y C    16.8603  -23.0580
            15  C8y C    18.2603  -23.0578
            16  C8x C    18.9601  -21.8453
            17  C8x C    18.2697  -20.6498
            18  N5x N    16.8697  -20.6499
            19  C1a C    16.1749  -24.2452
            20  O2a O    18.9510  -24.2532
            21  C1b C    20.3696  -24.2532
            22  C1d C    21.0556  -25.4406
            23  X   F    21.7556  -26.6531
            24  X   F    22.2680  -24.7406
            25  X   F    19.8432  -26.1406
BOND        27
            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 #Down
            13   10  12 2
            14   11  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   13  18 1
            21   14  19 1
            22   15  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   22  24 1
            27   22  25 1

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