KEGG   DRUG: D00295Help
Entry
D00295                      Drug                                   

Name
Cimetidine (JP16/USP/INN);
Tagamet (TN)
Product
  Generic
Formula
C10H16N6S
Exact mass
252.1157
Mol weight
252.3392
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antagonist [to histamine H2 receptors]
Remark
Same as: 
Therapeutic category: 
ATC code: 
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] (CYP3A [KO:K07424]), 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
Pathway map
Bile secretion
Structure map
Antiulcer drugs
Histamine H2/H3 receptor agonists/antagonists
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  23  Digestive organ agents
   232  Peptic ulcer agents
    2325  H2 blockers
     D00295  Cimetidine (JP16/USP/INN)
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
      D00295  Cimetidine (JP16/USP/INN)
USP drug classification [BR:br08302]
 Gastrointestinal Agents
  Histamine2 (H2) receptor Antagonists
   Cimetidine
    D00295  Cimetidine (JP16/USP/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    H2-receptor [HSA:3274] [KO:K04150]
     Cimetidine [ATC:A02BA01]
      D00295  Cimetidine (JP16/USP/INN)
BRITE hierarchy
Other DBs
CAS: 
51481-61-9
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        17
            1   C1b C    24.5609  -17.1206
            2   S2a S    25.7722  -16.4242
            3   C1b C    26.9833  -17.1206
            4   C1b C    28.1944  -16.4242
            5   N1b N    29.4055  -17.1206
            6   C2c C    30.6226  -16.4242
            7   N2b N    30.6226  -15.0201
            8   N1b N    31.8337  -17.1206
            9   C3b C    31.8337  -14.3237
            10  C1a C    33.0449  -16.4242
            11  N3a N    33.0598  -13.6286
            12  C8y C    23.3693  -16.4301
            13  N5x N    23.3693  -15.0301
            14  C8x C    22.0378  -14.5975
            15  N4x N    21.2149  -15.7301
            16  C8y C    22.0378  -16.8627
            17  C1a C    21.6042  -18.1971
BOND        17
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 2
            7     6   8 1
            8     7   9 1
            9     8  10 1
            10    9  11 3
            11    1  12 1
            12   12  13 1
            13   13  14 2
            14   14  15 1
            15   15  16 1
            16   12  16 2
            17   16  17 1

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