Roxatidine


Entry
D08494                      Drug                                   
Name
Roxatidine (INN);
Roxit (TN)
Formula
C17H26N2O3
Exact mass
306.1943
Mol weight
306.3999
Structure
Simcomp
Class
Gastrointestinal agent
 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
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)
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01975  Agents for peptic ulcer
   DG01481  Histamine receptor H2 antagonist
    DG00019  Roxatidine
     D08494  Roxatidine
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH2
     D08494  Roxatidine (INN)
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01975  Agents for peptic ulcer
   DG01481  Histamine receptor H2 antagonist
    DG00019  Roxatidine
Other DBs
CAS: 78273-80-0
PubChem: 96025179
LigandBox: D08494
NIKKAJI: J94.752K
KCF data

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