KEGG   DRUG: Rabeprazole
Entry
D08463                      Drug                                   
Name
Rabeprazole (INN);
Eraloc (TN)
Formula
C18H21N3O3S
Exact mass
359.1304
Mol weight
359.44
Structure
Simcomp
Class
Gastrointestinal agent
 DG01975  Agents for peptic ulcer
  DG01646  Proton pump inhibitor (PPI)
Metabolizing enzyme substrate
 DG01639  CYP2C19 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Same as: C07864
ATC code: A02BC04
Chemical structure group: DG00022
Product (DG00022): D00724<JP/US>
Product (mixture): D10519<JP>
Efficacy
Antisecretory (gastric acid), Anti-ulcerative, Proton pump inhibitor
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
Structure map
map07038  Antiulcer drugs
map07233  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
     A02BC04 Rabeprazole
      D08463  Rabeprazole (INN)
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01975  Agents for peptic ulcer
   DG01646  Proton pump inhibitor (PPI)
    DG00022  Rabeprazole
     D08463  Rabeprazole
 Metabolizing enzyme substrate
  DG01639  CYP2C19 substrate
   DG00022  Rabeprazole
    D08463  Rabeprazole
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00022  Rabeprazole
     D08463  Rabeprazole
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   ATPase
    ATP4
     D08463  Rabeprazole (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08463
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01975  Agents for peptic ulcer
   DG01646  Proton pump inhibitor (PPI)
    DG00022  Rabeprazole
 Metabolizing enzyme substrate
  DG01639  CYP2C19 substrate
   DG00022  Rabeprazole
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00022  Rabeprazole
Other DBs
CAS: 117976-89-3
PubChem: 96025149
ChEBI: 8768
LigandBox: D08463
NIKKAJI: J395.966J
LinkDB
KCF data

ATOM        25
            1   C8x C    16.8700  -17.6400
            2   C8x C    16.8700  -19.0400
            3   C8x C    18.0600  -19.7400
            4   C8y C    19.2500  -19.0400
            5   C8y C    19.2500  -17.6400
            6   C8x C    18.0600  -16.9400
            7   N5x N    20.5800  -19.4600
            8   C8y C    21.4200  -18.3400
            9   N4x N    20.5800  -17.2200
            10  S4a S    22.8200  -18.3400
            11  C1b C    23.5200  -19.6000
            12  O3c O    23.5200  -17.1500
            13  C8y C    24.9200  -19.6000
            14  C8y C    25.6200  -20.7900
            15  C8y C    27.0200  -20.7900
            16  C8x C    27.7200  -19.5300
            17  C8x C    27.0200  -18.3400
            18  N5x N    25.6200  -18.3400
            19  C1a C    24.9200  -21.9800
            20  O2a O    27.7200  -21.9800
            21  C1b C    29.1200  -21.9800
            22  C1b C    29.8200  -23.1700
            23  C1b C    31.2200  -23.1700
            24  O2a O    31.9200  -24.3600
            25  C1a C    33.3200  -24.3600
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
            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   23  24 1
            27   24  25 1

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