KEGG   DRUG: KetotifenHelp
Entry
D08105                      Drug                                   

Name
Ketotifen (INN);
Alaway (TN)
Formula
C19H19NOS
Exact mass
309.1187
Mol weight
309.4253
Structure
Mol fileKCF fileDB search
Simcomp 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
Drug 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)
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
BRITE hierarchy
Other DBs
CAS: 34580-13-7
PubChem: 96024795
ChEBI: 92511
ChEMBL: CHEMBL534
DrugBank: DB00920
LigandBox: D08105
NIKKAJI: J19.479D
LinkDB All DBs
KCF data Show

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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