KEGG   DRUG: Esomeprazole
Entry
D07917                      Drug                                   
Name
Esomeprazole (INN);
Inexium paranova (TN)
Formula
C17H19N3O3S
Exact mass
345.1147
Mol weight
345.4161
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
ATC code: A02BC05
Chemical structure group: DG00023
Product (DG00023): D01984<JP/US> D04056<US> D10120<US> D11114<US>
Efficacy
Antisecretory (gastric acid), Anti-ulcerative, Proton pump inhibitor
Comment
Benzimidazole derivative
Target
ATP4 [HSA:495 496] [KO:K01542 K01543]
  Pathway
hsa00190  Oxidative phosphorylation
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
     A02BC05 Esomeprazole
      D07917  Esomeprazole (INN)
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01975  Agents for peptic ulcer
   DG01646  Proton pump inhibitor (PPI)
    DG00023  Esomeprazole
     D07917  Esomeprazole
 Metabolizing enzyme substrate
  DG01639  CYP2C19 substrate
   DG00023  Esomeprazole
    D07917  Esomeprazole
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00023  Esomeprazole
     D07917  Esomeprazole
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   ATPase
    ATP4
     D07917  Esomeprazole (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D07917
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01975  Agents for peptic ulcer
   DG01646  Proton pump inhibitor (PPI)
    DG00023  Esomeprazole
 Metabolizing enzyme substrate
  DG01639  CYP2C19 substrate
   DG00023  Esomeprazole
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00023  Esomeprazole
Other DBs
CAS: 119141-88-7
PubChem: 96024613
ChEBI: 50275
LigandBox: D07917
LinkDB
KCF data

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

» Japanese version   » Back

KEGG   DRUG: Esomeprazole magnesium
Entry
D01984                      Drug                                   
Name
Esomeprazole magnesium (USP);
Esomeprazole magnesium hydrate (JAN);
Esomeprazole magnesium trihydrate;
Nexium (TN)
Product
  Generic
ESOMEPRAZOLE DR (Direct_Rx), ESOMEPRAZOLE MAGNESIUM (A-S Medication Solutions), ESOMEPRAZOLE MAGNESIUM (A-S Medication Solutions), ESOMEPRAZOLE MAGNESIUM (A-S Medication Solutions), ESOMEPRAZOLE MAGNESIUM (A-S Medication Solutions), ESOMEPRAZOLE MAGNESIUM (A-S Medication Solutions), ESOMEPRAZOLE MAGNESIUM (A-S Medication Solutions), ESOMEPRAZOLE MAGNESIUM (A-S Medication Solutions), ESOMEPRAZOLE MAGNESIUM (A-S Medication Solutions), ESOMEPRAZOLE MAGNESIUM (Advanced Rx Pharmacy of Tennessee), ESOMEPRAZOLE MAGNESIUM (Amneal Pharmaceuticals LLC), ESOMEPRAZOLE MAGNESIUM (Aphena Pharma Solutions - Tennessee), ESOMEPRAZOLE MAGNESIUM (Biocon Pharma Inc.,), ESOMEPRAZOLE MAGNESIUM (Bryant Ranch Prepack), ESOMEPRAZOLE MAGNESIUM (Bryant Ranch Prepack), ESOMEPRAZOLE MAGNESIUM (Bryant Ranch Prepack), ESOMEPRAZOLE MAGNESIUM (Bryant Ranch Prepack), ESOMEPRAZOLE MAGNESIUM (Bryant Ranch Prepack), ESOMEPRAZOLE MAGNESIUM (Bryant Ranch Prepack), ESOMEPRAZOLE MAGNESIUM (CSPC Ouyi Pharmaceutical), ESOMEPRAZOLE MAGNESIUM (Camber Pharmaceuticals), ESOMEPRAZOLE MAGNESIUM (Direct Rx), ESOMEPRAZOLE MAGNESIUM (Dr. Reddy's Laboratories), ESOMEPRAZOLE MAGNESIUM (Graviti Pharmaceuticals Private Limited), ESOMEPRAZOLE MAGNESIUM (Lake Erie Medical DBA Quality Care Products LLC), ESOMEPRAZOLE MAGNESIUM (Major Pharmaceuticals), ESOMEPRAZOLE MAGNESIUM (Mylan Institutional), ESOMEPRAZOLE MAGNESIUM (Mylan Pharmaceuticals), ESOMEPRAZOLE MAGNESIUM (NorthStar Rx LLC), ESOMEPRAZOLE MAGNESIUM (NuCare Pharmaceuticals), ESOMEPRAZOLE MAGNESIUM (NuCare Pharmaceuticals), ESOMEPRAZOLE MAGNESIUM (NuCare Pharmaceuticals), ESOMEPRAZOLE MAGNESIUM (NuCare Pharmaceuticals), ESOMEPRAZOLE MAGNESIUM (NuCare Pharmceuticals), ESOMEPRAZOLE MAGNESIUM (Preferred Pharmaceuticals), ESOMEPRAZOLE MAGNESIUM (Preferred Pharmaceuticals), ESOMEPRAZOLE MAGNESIUM (Preferred Pharmaceuticals), ESOMEPRAZOLE MAGNESIUM (Proficient Rx LP), ESOMEPRAZOLE MAGNESIUM (Proficient Rx LP), ESOMEPRAZOLE MAGNESIUM (Quality Care Products), ESOMEPRAZOLE MAGNESIUM (REMEDYREPACK), ESOMEPRAZOLE MAGNESIUM (Sun Pharmaceutical Industries), ESOMEPRAZOLE MAGNESIUM (Torrent Pharmaceuticals Limited), ESOMEPRAZOLE MAGNESIUM (A-S Medication Solutions), ESOMEPRAZOLE MAGNESIUM (Ascend Laboratories), ESOMEPRAZOLE MAGNESIUM (Asclemed USA), ESOMEPRAZOLE MAGNESIUM (Proficient Rx LP)
Formula
(C17H18N3O3S)2. 3H2O. Mg
Exact mass
766.2305
Mol weight
767.1671
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
Therapeutic category: 2329
ATC code: A02BC05
Chemical structure group: DG00023
Product (DG00023): D01984<JP/US> D04056<US> D10120<US> D11114<US>
Product (mixture): D11576<US>
Efficacy
Antisecretory (gastric acid), Anti-ulcerative, Proton pump inhibitor
  Disease
Gastroesophageal reflux disease [DS:H01602]
Gastric ulcer [DS:H01634]
H. pylori eradication [DS:H00320]
Zollinger-Ellison syndrome [DS:H01522]
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
     A02BC05 Esomeprazole
      D01984  Esomeprazole magnesium (USP) <JP/US>
USP drug classification [BR:br08302]
 Gastrointestinal Agents
  Proton Pump Inhibitors
   Esomeprazole
    D01984  Esomeprazole magnesium (USP)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  23  Digestive organ agents
   232  Peptic ulcer agents
    2329  Others
     D01984  Esomeprazole magnesium (USP); Esomeprazole magnesium hydrate (JAN)
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01975  Agents for peptic ulcer
   DG01646  Proton pump inhibitor (PPI)
    DG00023  Esomeprazole
     D01984  Esomeprazole magnesium
 Metabolizing enzyme substrate
  DG01639  CYP2C19 substrate
   DG00023  Esomeprazole
    D01984  Esomeprazole magnesium
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00023  Esomeprazole
     D01984  Esomeprazole magnesium
Drug classes [BR:br08332]
 Gastrointestinal agent
  DG01646  Proton pump inhibitor (PPI)
   D01984  Esomeprazole magnesium
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   ATPase
    ATP4
     D01984  Esomeprazole magnesium (USP) <JP/US>
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D01984
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D01984
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D01984
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D01984
Rx-to-OTC switch list in the USA [br08315.html]
 D01984
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01975  Agents for peptic ulcer
   DG01646  Proton pump inhibitor (PPI)
    DG00023  Esomeprazole
 Metabolizing enzyme substrate
  DG01639  CYP2C19 substrate
   DG00023  Esomeprazole
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00023  Esomeprazole
Other DBs
CAS: 217087-09-7
PubChem: 7849046
LigandBox: D01984
LinkDB
KCF data

ATOM        52
            1   C8x C    20.3918  -19.3472
            2   C8y C    20.3918  -20.7493
            3   C8x C    21.6097  -21.4467
            4   C8x C    21.6097  -18.6427
            5   C8y C    22.8207  -19.3472
            6   C8y C    22.8148  -20.7527
            7   N5x N    24.1500  -21.1904
            8   C8y C    24.9834  -20.0554
            9   N4x N    24.1593  -18.9137 #-
            10  S4a S    26.3731  -20.1218
            11  C1b C    27.0706  -21.3335
            12  C8y C    28.4655  -21.3335
            13  C8y C    29.1663  -22.5426
            14  C8y C    30.5613  -22.5426
            15  C8y C    31.2554  -21.3335
            16  C8x C    30.5613  -20.1245
            17  N5x N    29.1663  -20.1245
            18  C1a C    32.6572  -21.3335
            19  O2a O    31.2587  -23.7576
            20  C1a C    32.6608  -23.7576
            21  C1a C    28.4619  -23.7576
            22  O3c O    27.0682  -18.9053
            23  O2a O    19.1841  -21.4472
            24  C1a C    17.9687  -20.7505
            25  Z   Mg   36.7654  -19.6553 #2+
            26  O0  O    38.0919  -22.0340
            27  C8x C    20.3918  -19.3472
            28  C8x C    21.6097  -18.6427
            29  C8y C    22.8207  -19.3472
            30  C8y C    22.8148  -20.7527
            31  C8x C    21.6097  -21.4467
            32  C8y C    20.3918  -20.7493
            33  O2a O    19.1841  -21.4472
            34  C1a C    17.9687  -20.7505
            35  N5x N    24.1500  -21.1904
            36  C8y C    24.9834  -20.0554
            37  S4a S    26.3731  -20.1218
            38  C1b C    27.0706  -21.3335
            39  C8y C    28.4655  -21.3335
            40  C8y C    29.1663  -22.5426
            41  C8y C    30.5613  -22.5426
            42  C8y C    31.2554  -21.3335
            43  C8x C    30.5613  -20.1245
            44  N5x N    29.1663  -20.1245
            45  C1a C    32.6572  -21.3335
            46  O2a O    31.2587  -23.7576
            47  C1a C    32.6608  -23.7576
            48  C1a C    28.4619  -23.7576
            49  O3c O    27.0682  -18.9053
            50  N4x N    24.1593  -18.9137 #-
            51  O0  O    38.0919  -22.0340
            52  O0  O    38.0919  -22.0340
BOND        52
            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
            27   32  31 1
            28   33  34 1
            29   36  37 1
            30   31  30 2
            31   37  38 1 #Up
            32   29  28 2
            33   38  39 1
            34   28  27 1
            35   39  40 2
            36   40  41 1
            37   41  42 2
            38   42  43 1
            39   43  44 2
            40   44  39 1
            41   27  32 2
            42   42  45 1
            43   29  30 1
            44   41  46 1
            45   30  35 1
            46   46  47 1
            47   35  36 2
            48   40  48 1
            49   36  50 1
            50   37  49 2
            51   50  29 1
            52   32  33 1
BRACKET     1    16.3800  -24.7100   16.3800  -17.6400
            1    34.1600  -17.6400   34.1600  -24.7100
            1  2
 ORIGINAL  1    1   4   5   6   3   2  23  24   7   8  10  11  12  13  14  15
            1   16  17  18  19  20  21  22   9
 REPEAT    1   27  28  29  30  31  32  33  34  35  36  37  38  39  40  41  42
            1   43  44  45  46  47  48  49  50
            2    36.1900  -22.9600   36.1900  -21.0700
            2    38.5000  -21.0700   38.5000  -22.9600
            2  3
 ORIGINAL  2   26
 REPEAT    2   51  52

» Japanese version   » Back

KEGG   DRUG: Esomeprazole sodium
Entry
D04056                      Drug                                   
Name
Esomeprazole sodium (USAN);
Nexium IV (TN)
Product
  Generic
Formula
C17H18N3O3S. Na
Exact mass
367.0967
Mol weight
367.3979
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
ATC code: A02BC05
Chemical structure group: DG00023
Product (DG00023): D01984<JP/US> D04056<US> D10120<US> D11114<US>
Efficacy
Antisecretory (gastric acid), Anti-ulcerative, Proton pump inhibitor
  Disease
Gastroesophageal reflux disease [DS:H01602]
Gastric or duodenal ulcers [DS:H01634]
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
     A02BC05 Esomeprazole
      D04056  Esomeprazole sodium (USAN) <US>
USP drug classification [BR:br08302]
 Gastrointestinal Agents
  Proton Pump Inhibitors
   Esomeprazole
    D04056  Esomeprazole sodium (USAN)
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01975  Agents for peptic ulcer
   DG01646  Proton pump inhibitor (PPI)
    DG00023  Esomeprazole
     D04056  Esomeprazole sodium
 Metabolizing enzyme substrate
  DG01639  CYP2C19 substrate
   DG00023  Esomeprazole
    D04056  Esomeprazole sodium
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00023  Esomeprazole
     D04056  Esomeprazole sodium
Drug classes [BR:br08332]
 Gastrointestinal agent
  DG01646  Proton pump inhibitor (PPI)
   D04056  Esomeprazole sodium
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   ATPase
    ATP4
     D04056  Esomeprazole sodium (USAN) <US>
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D04056
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D04056
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01975  Agents for peptic ulcer
   DG01646  Proton pump inhibitor (PPI)
    DG00023  Esomeprazole
 Metabolizing enzyme substrate
  DG01639  CYP2C19 substrate
   DG00023  Esomeprazole
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00023  Esomeprazole
Other DBs
CAS: 161796-78-7
PubChem: 17398018
LigandBox: D04056
LinkDB
KCF data

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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KEGG   DRUG: Esomeprazole potassium
Entry
D09339                      Drug                                   
Name
Esomeprazole potassium (USAN)
Formula
C17H18N3O3S. K
Exact mass
383.0706
Mol weight
383.5064
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
ATC code: A02BC05
Chemical structure group: DG00023
Product (DG00023): D01984<JP/US> D04056<US> D10120<US> D11114<US>
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
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
     A02BC05 Esomeprazole
      D09339  Esomeprazole potassium (USAN)
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01975  Agents for peptic ulcer
   DG01646  Proton pump inhibitor (PPI)
    DG00023  Esomeprazole
     D09339  Esomeprazole potassium
 Metabolizing enzyme substrate
  DG01639  CYP2C19 substrate
   DG00023  Esomeprazole
    D09339  Esomeprazole potassium
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00023  Esomeprazole
     D09339  Esomeprazole potassium
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   ATPase
    ATP4
     D09339  Esomeprazole potassium (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D09339
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01975  Agents for peptic ulcer
   DG01646  Proton pump inhibitor (PPI)
    DG00023  Esomeprazole
 Metabolizing enzyme substrate
  DG01639  CYP2C19 substrate
   DG00023  Esomeprazole
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00023  Esomeprazole
Other DBs
CAS: 161796-84-5
PubChem: 96026019
LigandBox: D09339
LinkDB
KCF data

ATOM        25
            1   C8x C    18.6200  -21.0000
            2   C8y C    18.6200  -22.4000
            3   C8x C    19.8800  -23.1000
            4   C8x C    19.8800  -20.3000
            5   C8y C    21.0700  -21.0000
            6   C8y C    21.0700  -22.4000
            7   N5x N    22.4000  -22.8900
            8   C8y C    23.2400  -21.7000
            9   N4x N    22.4000  -20.5800 #-
            10  S4a S    24.6400  -21.7000
            11  C1b C    25.3400  -23.0300
            12  C8y C    26.7400  -23.0300
            13  C8y C    27.4400  -24.2200
            14  C8y C    28.8400  -24.2200
            15  C8y C    29.4700  -23.0300
            16  C8x C    28.8400  -21.7700
            17  N5x N    27.4400  -21.7700
            18  C1a C    30.9400  -23.0300
            19  O2a O    29.5400  -25.4100
            20  C1a C    30.9400  -25.4100
            21  C1a C    26.7400  -25.4100
            22  O3c O    25.3400  -20.5800
            23  O2a O    17.4300  -23.1000
            24  C1a C    16.2400  -22.4000
            25  Z   K    22.1200  -18.8300 #+
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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