KEGG   DRUG: RoxatidineHelp
Entry
D08494                      Drug                                   

Name
Roxatidine (INN);
Roxit (TN)
Formula
C17H26N2O3
Exact mass
306.1943
Mol weight
306.3999
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Gastrointestinal agent
 DG01481  Histamine receptor H2 antagonist
 DG01975  Agents for peptic ulcer
  DG01481  Histamine receptor H2 antagonist
Remark
ATC code: A02BA06
Chemical structure group: DG00019
Product (DG00019): D01467<JP>
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
Interaction
Drug interaction
Structure map
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
     A02BA06 Roxatidine
      D08494  Roxatidine (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH2
     D08494  Roxatidine (INN)
BRITE hierarchy
Other DBs
CAS: 78273-80-0
PubChem: 96025179
LigandBox: D08494
NIKKAJI: J94.752K
KCF data Show

ATOM        22
            1   N1b N    28.7000  -23.9400
            2   C8x C    20.1600  -21.8400
            3   C8y C    20.1600  -23.2400
            4   C8x C    21.4200  -23.9400
            5   C8y C    22.6100  -23.2400
            6   C8x C    22.6100  -21.8400
            7   C8x C    21.4200  -21.1400
            8   O2a O    23.8700  -23.9400
            9   C1b C    25.0600  -23.2400
            10  C1b C    26.2500  -23.9400
            11  C1b C    27.4400  -23.2400
            12  C1b C    18.9700  -23.9400
            13  N1y N    17.7800  -23.2400
            14  C1x C    17.7800  -21.8400
            15  C1x C    16.5900  -21.1400
            16  C1x C    15.3300  -21.8400
            17  C1x C    15.3300  -23.2400
            18  C1x C    16.5200  -23.9400
            19  C5a C    29.8900  -23.2400
            20  C1b C    31.0800  -23.9400
            21  O1a O    32.2700  -23.2400
            22  O5a O    29.8900  -21.8400
BOND        23
            1     6   7 2
            2     7   2 1
            3    13  18 1
            4    14  15 1
            5    15  16 1
            6    16  17 1
            7    17  18 1
            8     8   9 1
            9     9  10 1
            10    2   3 2
            11   10  11 1
            12   11   1 1
            13    8   5 1
            14    1  19 1
            15   19  20 1
            16    3   4 1
            17   20  21 1
            18    3  12 1
            19    4   5 2
            20   12  13 1
            21   19  22 2
            22   13  14 1
            23    5   6 1

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