KEGG   DRUG: D03503Help
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
Activity
Antagonist [to histamine H2 receptors]
Remark
ATC code: 
Drug group: 
Target
H2-receptor antagonist [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
Antiulcer drugs
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)
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
    H2-receptor
     Cimetidine
      D03503  Cimetidine hydrochloride (USP)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP1A2
   Cimetidine
    D03503  Cimetidine hydrochloride (USP)
  CYP2C9
   Cimetidine
    D03503  Cimetidine hydrochloride (USP)
  CYP2D6
   Cimetidine
    D03503  Cimetidine hydrochloride (USP)
  CYP3A4
   Cimetidine
    D03503  Cimetidine hydrochloride (USP)
 Inhbitors
  CYP1A2
   Cimetidine
    D03503  Cimetidine hydrochloride (USP)
  CYP2C9
   Cimetidine
    D03503  Cimetidine hydrochloride (USP)
  CYP2D6
   Cimetidine
    D03503  Cimetidine hydrochloride (USP)
  CYP3A4
   Cimetidine
    D03503  Cimetidine hydrochloride (USP)
  CYP3A5
   Cimetidine
    D03503  Cimetidine hydrochloride (USP)
  CYP3A7
   Cimetidine
    D03503  Cimetidine hydrochloride (USP)
  CYP3A
   Cimetidine
    D03503  Cimetidine hydrochloride (USP)
BRITE hierarchy
Other DBs
CAS: 
70059-30-2
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
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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