KEGG   DRUG: Ketotifen
Entry
D08105                      Drug                                   
Name
Ketotifen (INN);
Alaway (TN)
Formula
C19H19NOS
Exact mass
309.1187
Mol weight
309.4253
Structure
Simcomp
Class
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Remark
ATC code: R06AX17 S01GX08
Chemical structure group: DG01115
Product (DG01115): D01332<JP>
Efficacy
Antiallergic, Antiasthmatic, H1 receptor antagonist
Target
HRH1 [HSA:3269] [KO:K04149]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04750  Inflammatory mediator regulation of TRP channels
Interaction
Structure map
map07212  Histamine H1 receptor antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R06 ANTIHISTAMINES FOR SYSTEMIC USE
   R06A ANTIHISTAMINES FOR SYSTEMIC USE
    R06AX Other antihistamines for systemic use
     R06AX17 Ketotifen
      D08105  Ketotifen (INN)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01G DECONGESTANTS AND ANTIALLERGICS
    S01GX Other antiallergics
     S01GX08 Ketotifen
      D08105  Ketotifen (INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Ketotifen
    D08105  Ketotifen (INN)
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG01115  Ketotifen
     D08105  Ketotifen
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D08105  Ketotifen (INN)
Rx-to-OTC switch list in the USA [br08315.html]
 D08105
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG01115  Ketotifen
Other DBs
CAS: 34580-13-7
PubChem: 96024795
ChEBI: 92511
LigandBox: D08105
NIKKAJI: J19.479D
KCF data

ATOM        22
            1   C5x C    17.6246  -19.8656
            2   C8y C    16.7152  -18.7464
            3   C8y C    17.1349  -17.4173
            4   C2y C    18.3941  -16.8576
            5   C1x C    19.0237  -19.8656
            6   C8y C    19.6533  -17.4872
            7   C8y C    19.9331  -18.8163
            8   C8x C    21.2622  -19.2361
            9   C8x C    22.3115  -18.3267
            10  C8x C    22.0317  -16.9276
            11  C8x C    20.7026  -16.5079
            12  O5x O    16.9251  -21.1248
            13  C8x C    15.9457  -16.6478
            14  C8x C    14.8964  -17.4872
            15  S2x S    15.3861  -18.7464
            16  C2y C    18.3941  -15.3886
            17  C1x C    19.6533  -14.7590
            18  C1x C    19.6533  -13.3600
            19  N1y N    18.4641  -12.5905
            20  C1x C    17.2049  -13.2900
            21  C1x C    17.2049  -14.6891
            22  C1a C    18.4641  -11.1914
BOND        25
            1     3   4 1
            2     1   5 1
            3     4   6 1
            4     2   3 2
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    6  11 2
            13    1  12 2
            14    3  13 1
            15   13  14 2
            16   14  15 1
            17    2  15 1
            18    4  16 2
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   16  21 1
            25   19  22 1

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Ontology (5)   
   KEGG BRITE (5)   
Pathway (1)   
   KEGG PATHWAY (1)   
Drug (3)   
   KEGG DGROUP (1)   
   LigandBox (1)   
   SIDER (1)   
Chemical substance (5)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   HSDB (1)   
   NIKKAJI (1)   
Gene (2)   
   KEGG ORTHOLOGY (1)   
   KEGG GENES (1)   
All databases (16)   

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