KEGG   DRUG: Cimetidine hydrochlorideHelp
Entry
D03503                      Drug                                   

Name
Cimetidine hydrochloride (USP);
Cimetidine hydrochloride (TN)
Product
  Generic
Formula
C10H16N6S. HCl
Exact mass
288.0924
Mol weight
288.8002
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Gastrointestinal agent
 DG01481  Histamine receptor H2 antagonist
 DG01975  Agents for peptic ulcer
  DG01481  Histamine receptor H2 antagonist
Cyp substrate
 DG01892  CYP1A2 substrate
 DG01642  CYP2C9 substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A substrate
Cyp inhibitor
 DG01634  CYP1A2 inhibitor
 DG01643  CYP2C9 inhibitor
 DG01645  CYP2D6 inhibitor
 DG01522  CYP3A4 inhibitor
 DG01915  CYP3A5 inhibitor
Remark
ATC code: A02BA01
Chemical structure group: DG00017
Product (DG00017): D00295<JP/US> D03503<US>
Efficacy
Anti-ulcerative, H2 receptor antagonist
  Disease
Duodenal ulcer [DS:H01634]
Gastric ulcer [DS:H01634]
Gastroesophageal reflux disease [DS:H01602]
Zollinger-Ellison syndrome [DS:H01522]
Target
HRH2 [HSA:3274] [KO:K04150]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04971  Gastric acid secretion
Metabolism
Enzyme: CYP1A2 [HSA:1544], CYP2C9 [HSA:1559], CYP2D6 [HSA:1565], CYP3A4 [HSA:1576]
Transporter: SLC22A2 [HSA:6582]
Interaction
CYP inhibition: CYP3A4 [HSA:1576], CYP3A5 [HSA:1577], CYP3A7 [HSA:1551], CYP2D6 [HSA:1565], CYP2C9 [HSA:1559], CYP1A2 [HSA:1544]
Transporter inhibition: SLC22A2 [HSA:6582], SLC22A3 [HSA:6581], SLC47A1 [HSA:55244], SCL47A2 [HSA:146802]
Drug interaction
Structure map
map07038  Antiulcer drugs
map07227  Histamine H2/H3 receptor agonists/antagonists
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
     A02BA01 Cimetidine
      D03503  Cimetidine hydrochloride (USP) <US>
USP drug classification [BR:br08302]
 Gastrointestinal Agents
  Histamine2 (H2) receptor Antagonists
   Cimetidine
    D03503  Cimetidine hydrochloride (USP)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH2
     D03503  Cimetidine hydrochloride (USP) <US>
Drug classes of therapeutic agents [br08360.html]
 Gastrointestinal agents
  D03503
BRITE hierarchy
Other DBs
CAS: 70059-30-2
PubChem: 17397637
ChEBI: 50362
ChEMBL: CHEMBL1201051
DrugBank: DB00501
LigandBox: D03503
NIKKAJI: J321.073A
KCF data Show

ATOM        18
            1   X   Cl   35.4200  -16.7300
            2   C1b C    27.3161  -14.5481
            3   S2a S    28.5286  -13.8510
            4   C1b C    29.7410  -14.5481
            5   C1b C    30.9533  -13.8510
            6   N1b N    32.1656  -14.5481
            7   C2c C    33.3840  -13.8510
            8   N2b N    33.3840  -12.4455
            9   N1b N    34.5963  -14.5481
            10  C3b C    34.5963  -11.7484
            11  C1a C    35.8088  -13.8510
            12  N3a N    35.8237  -11.0526
            13  C8y C    26.1233  -13.8569
            14  N5x N    26.1233  -12.4555
            15  C8x C    24.7904  -12.0225
            16  N4x N    23.9666  -13.1562
            17  C8y C    24.7904  -14.2900
            18  C1a C    24.3563  -15.6258
BOND        17
            1     2   3 1
            2     3   4 1
            3     4   5 1
            4     5   6 1
            5     6   7 1
            6     7   8 2
            7     7   9 1
            8     8  10 1
            9     9  11 1
            10   10  12 3
            11    2  13 1
            12   13  14 1
            13   14  15 2
            14   15  16 1
            15   16  17 1
            16   13  17 2
            17   17  18 1

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