KEGG   DRUG: Ketotifen fumarateHelp
Entry
D01332                      Drug                                   

Name
Ketotifen fumarate (JP17/USAN);
Zaditen (TN)
Formula
C19H19NOS. C4H4O4
Exact mass
425.1297
Mol weight
425.4974
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Remark
Therapeutic category: 1319 1329 4490
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
      D01332  Ketotifen fumarate (JP17/USAN) <JP>
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01G DECONGESTANTS AND ANTIALLERGICS
    S01GX Other antiallergics
     S01GX08 Ketotifen
      D01332  Ketotifen fumarate (JP17/USAN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  13  Agents affecting sensory organs
   131  Ophthalmic agents
    1319  Others
     D01332  Ketotifen fumarate (JP17/USAN)
   132  Otic and nasal agents
    1329  Others
     D01332  Ketotifen fumarate (JP17/USAN)
 4  Agents affecting cellular function
  44  Allergic agents
   449  Miscellaneous
    4490  Miscellaneous
     D01332  Ketotifen fumarate (JP17/USAN)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for ophthalmologic use
  64 Allergy eye drops
   D01332  Ketotifen fumarate (JP17/USAN)
 Agents for otolaryngologic use
  69 Oral medicine for nasal inflammation
   D01332  Ketotifen fumarate (JP17/USAN)
  70 Nasal sprays for inflammation
   D01332  Ketotifen fumarate (JP17/USAN)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Ketotifen
    D01332  Ketotifen fumarate (JP17/USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D01332  Ketotifen fumarate (JP17/USAN) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01332  Ketotifen fumarate
Drug classes of therapeutic agents [br08360.html]
 Anti-allergic agents
  D01332
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D01332
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D01332
Rx-to-OTC switch list in Japan [br08314.html]
 D01332
BRITE hierarchy
Other DBs
CAS: 34580-14-8
PubChem: 7848395
ChEBI: 31750
ChEMBL: CHEMBL1633
DrugBank: DB00920
LigandBox: D01332
NIKKAJI: J245.473D
LinkDB All DBs
KCF data Show

ATOM        30
            1   C6a C    35.8400  -16.7300
            2   C2b C    37.0300  -17.4300
            3   O6a O    34.6500  -17.4300
            4   O6a O    35.8400  -15.3300
            5   C2b C    38.2200  -16.7300
            6   C6a C    39.4100  -17.4300
            7   O6a O    40.6000  -16.7300
            8   O6a O    39.4100  -18.8300
            9   C5x C    28.5600  -20.9300
            10  C8y C    27.7200  -19.8100
            11  C8y C    28.0700  -18.4800
            12  C2y C    29.3300  -17.9200
            13  C1x C    29.9600  -20.9300
            14  C8y C    30.5900  -18.5500
            15  C8y C    30.8700  -19.8800
            16  C8x C    32.2000  -20.3000
            17  C8x C    33.2500  -19.3900
            18  C8x C    32.9700  -17.9900
            19  C8x C    31.6400  -17.5700
            20  O5x O    27.9300  -22.1900
            21  C8x C    26.9132  -17.7361
            22  C8x C    25.8483  -18.6064
            23  S2x S    26.3469  -19.8181
            24  C2y C    29.3618  -16.5204
            25  C1x C    30.5653  -15.8612
            26  C1x C    30.5968  -14.4615
            27  N1y N    29.4004  -13.7344
            28  C1x C    28.1269  -14.3936
            29  C1x C    28.1654  -15.7933
            30  C1a C    29.4322  -12.3204
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     5   6 1
            6     6   7 1
            7     6   8 2
            8    11  12 1
            9     9  13 1
            10   12  14 1
            11   10  11 2
            12   13  15 1
            13    9  10 1
            14   14  15 1
            15   15  16 2
            16   16  17 1
            17   17  18 2
            18   18  19 1
            19   14  19 2
            20    9  20 2
            21   11  21 1
            22   21  22 2
            23   22  23 1
            24   10  23 1
            25   12  24 2
            26   24  25 1
            27   25  26 1
            28   26  27 1
            29   27  28 1
            30   28  29 1
            31   24  29 1
            32   27  30 1

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