KEGG   DRUG: Ranitidine
Entry
D00422                      Drug                                   
Name
Ranitidine (USAN/INN);
Ranitidine (TN)
Formula
C13H22N4O3S
Exact mass
314.1413
Mol weight
314.4038
Structure
Simcomp
Class
Gastrointestinal agent
 DG01975  Agents for peptic ulcer
  DG01481  Histamine receptor H2 antagonist
Metabolizing enzyme inhibitor
 DG01645  CYP2D6 inhibitor
 DG02852  CYP3A/CYP3A4 inhibitor
Transporter substrate
 DG02854  SLC22A2 substrate
Transporter inhibitor
 DG02863  SLC22A2 inhibitor
Remark
ATC code: A02BA02
Chemical structure group: DG00018
Product (DG00018): D00673<US>
Efficacy
Anti-ulcerative, H2 receptor antagonist
Target
HRH2 [HSA:3274] [KO:K04150]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04971  Gastric acid secretion
Metabolism
Transporter: SLC22A2 [HSA:6582]
Interaction
CYP inhibition: CYP2D6 [HSA:1565], CYP3A [HSA:1576 1577 1551]
Transporter inhibition: SLC22A2 [HSA:6582]
Structure map
map07038  Antiulcer drugs
map07227  Histamine H2/H3 receptor agonists/antagonists
Other map
map04976  Bile secretion
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)
    A02BA H2-receptor antagonists
     A02BA02 Ranitidine
      D00422  Ranitidine (USAN/INN)
Risk category of Japanese OTC drugs [BR:br08312]
 First-class OTC drugs
  Inorganic and organic chemicals
   Ranitidine
    D00422  Ranitidine (USAN/INN)
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01975  Agents for peptic ulcer
   DG01481  Histamine receptor H2 antagonist
    DG00018  Ranitidine
     D00422  Ranitidine
 Metabolizing enzyme inhibitor
  DG01645  CYP2D6 inhibitor
   DG00018  Ranitidine
    D00422  Ranitidine
  DG02852  CYP3A/CYP3A4 inhibitor
   DG00018  Ranitidine
    D00422  Ranitidine
 Transporter substrate
  DG02854  SLC22A2 substrate
   DG00018  Ranitidine
    D00422  Ranitidine
 Transporter inhibitor
  DG02863  SLC22A2 inhibitor
   DG00018  Ranitidine
    D00422  Ranitidine
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH2
     D00422  Ranitidine (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00422
 Drug transporters
  D00422
Rx-to-OTC switch list in the USA [br08315.html]
 D00422
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01975  Agents for peptic ulcer
   DG01481  Histamine receptor H2 antagonist
    DG00018  Ranitidine
 Metabolizing enzyme inhibitor
  DG01645  CYP2D6 inhibitor
   DG00018  Ranitidine
  DG02852  CYP3A/CYP3A4 inhibitor
   DG00018  Ranitidine
 Transporter substrate
  DG02854  SLC22A2 substrate
   DG00018  Ranitidine
 Transporter inhibitor
  DG02863  SLC22A2 inhibitor
   DG00018  Ranitidine
Other DBs
CAS: 66357-35-5
PubChem: 7847488
ChEBI: 8776
LigandBox: D00422
NIKKAJI: J19.096I
KCF data

ATOM        21
            1   C8y C    19.0765  -23.1392
            2   O2x O    20.1949  -23.9781
            3   C8x C    19.4959  -21.8111
            4   C1b C    17.8182  -23.8382
            5   C8y C    21.3133  -23.1392
            6   C8x C    20.8939  -21.8111
            7   N1c N    16.6298  -23.1392
            8   C1b C    22.5017  -23.8382
            9   C1a C    15.4415  -23.8382
            10  C1a C    16.6298  -21.7412
            11  S2a S    23.6900  -23.1392
            12  C1b C    24.9482  -23.8382
            13  C1b C    26.1366  -23.1392
            14  N1b N    27.3249  -23.8382
            15  C2c C    28.5831  -23.1392
            16  C2b C    29.7715  -23.8382
            17  N1b N    28.5831  -21.7412
            18  N2b N    30.9599  -23.1392 #+
            19  C1a C    27.3249  -21.0422
            20  O3a O    30.9599  -21.7412 #-
            21  O3a O    32.2181  -23.8382
BOND        21
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     5   8 1
            8     7   9 1
            9     7  10 1
            10    8  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 2
            16   15  17 1
            17   16  18 1
            18   17  19 1
            19   18  20 1
            20   18  21 2
            21    5   6 2

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