KEGG   DRUG: IcotidineHelp
Entry
D04494                      Drug                                   

Name
Icotidine (USAN)
Formula
C21H25N5O2
Exact mass
379.2008
Mol weight
379.4555
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Gastrointestinal agent
 DG01481  Histamine receptor H2 antagonist
 DG01975  Agents for peptic ulcer
  DG01481  Histamine receptor H2 antagonist
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Activity
Antihistaminic, H1 and H2 receptor antagonist
Target
HRH1 [HSA:3269] [KO:K04149];
HRH2 [HSA:3274] [KO:K04150]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Gastric acid secretion
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    H1-receptor
     Icotidine
      D04494  Icotidine (USAN)
    H2-receptor
     Icotidine
      D04494  Icotidine (USAN)
BRITE hierarchy
Other DBs
CAS: 
71351-79-6
PubChem: 
ChEMBL: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        28
            1   C8x C    12.3200   -8.8200
            2   C8x C    12.3200  -10.2200
            3   C8y C    13.5324  -10.9200
            4   C8y C    14.7449  -10.2200
            5   N5x N    14.7449   -8.8200
            6   C8x C    13.5324   -8.1200
            7   O2a O    13.5324  -12.3198
            8   C1a C    12.3032  -13.0297
            9   C1b C    15.9760  -10.9310
            10  C1b C    17.1812  -10.2353
            11  C1b C    18.3635  -10.9181
            12  C1b C    19.5575  -10.2288
            13  N1b N    20.7454  -10.9148
            14  C8y C    21.9365  -10.2271
            15  N5x N    23.1259  -10.9139
            16  C8y C    24.3384  -10.2140
            17  C8y C    24.3385   -8.8140
            18  C8x C    23.1491   -8.1272
            19  N4x N    21.9366   -8.8271
            20  O5x O    25.5695  -10.9250
            21  C1b C    25.5644   -8.1062
            22  C8y C    26.7719   -8.8034
            23  C8x C    26.7723  -10.2196
            24  C8x C    27.9849  -10.9193
            25  C8y C    29.1971  -10.2190
            26  N5x N    29.1968   -8.8027
            27  C8x C    27.9841   -8.1031
            28  C1a C    30.4048  -10.9159
BOND        30
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     3   7 1
            8     7   8 1
            9     4   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   14  19 1
            21   16  20 2
            22   17  21 1
            23   22  23 2
            24   23  24 1
            25   24  25 2
            26   25  26 1
            27   26  27 2
            28   22  27 1
            29   21  22 1
            30   25  28 1

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