Ebastine


Entry
D01478                      Drug                                   
Name
Ebastine (JP18/USAN/INN);
Kestine (TN)
Formula
C32H39NO2
Exact mass
469.2981
Mol weight
469.6576
Structure
Class
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Metabolizing enzyme substrate
 DG02954  CYP2J2 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Therapeutic category: 4490
ATC code: R06AX22
Product: D01478<JP>
Efficacy
Antiallergic, Antipruritic, H1 receptor antagonist
Target
HRH1 [HSA:3269] [KO:K04149]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04750  Inflammatory mediator regulation of TRP channels
Metabolism
Enzyme: CYP2J2 [HSA:1573], CYP3A4 [HSA:1576]
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
     R06AX22 Ebastine
      D01478  Ebastine (JP18/USAN/INN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  44  Allergic agents
   449  Miscellaneous
    4490  Miscellaneous
     D01478  Ebastine (JP18/USAN/INN)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for otolaryngologic use
  69 Oral medicine for nasal inflammation
   D01478  Ebastine (JP18/USAN/INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Ebastine
    D01478  Ebastine (JP18/USAN/INN)
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    D01478  Ebastine
 Metabolizing enzyme substrate
  DG02954  CYP2J2 substrate
   D01478  Ebastine
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D01478  Ebastine
Drug classes [BR:br08332]
 Anti-allergic agent
  DG01482  Histamine receptor H1 antagonist
   D01478  Ebastine
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D01478  Ebastine (JP18/USAN/INN) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01478  Ebastine
  D01478  Ebastine tablets
  D01478  Ebastine orally disintegrating tablets
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D01478
Rx-to-OTC switch list in Japan [br08314.html]
 D01478
Other DBs
CAS: 90729-43-4
PubChem: 7848541
ChEBI: 31528
LigandBox: D01478
NIKKAJI: J22.761G
KCF data

ATOM        35
            1   C8y C    34.2938  -13.6276
            2   C8x C    35.5095  -14.3273
            3   C8x C    36.7234  -13.6244
            4   C8y C    36.7215  -12.2217
            5   C8x C    35.5058  -11.5220
            6   C8x C    34.2919  -12.2249
            7   C1d C    37.9408  -11.5356
            8   C8x C    20.9617  -18.5185
            9   C8x C    20.9617  -19.9179
            10  C8x C    22.1765  -20.6176
            11  C8x C    23.3843  -19.9179
            12  C8y C    23.3843  -18.5185
            13  C8x C    22.1765  -17.8188
            14  C1c C    24.5968  -17.8196
            15  C8y C    25.8081  -18.5204
            16  O2a O    24.5978  -16.4202
            17  C8x C    25.8017  -19.9178
            18  C8x C    27.0130  -20.6183
            19  C8x C    28.2255  -19.9196
            20  C8x C    28.2265  -18.5202
            21  C8x C    27.0150  -17.8195
            22  C1y C    25.8103  -15.7215
            23  C1x C    27.0199  -16.4210
            24  C1x C    28.2324  -15.7223
            25  N1y N    28.2335  -14.3229
            26  C1x C    27.0220  -13.6222
            27  C1x C    25.8096  -14.3210
            28  C1b C    29.4460  -13.6240
            29  C1b C    30.6574  -14.3246
            30  C1b C    31.8700  -13.6259
            31  C5a C    33.0813  -14.3265
            32  O5a O    33.0802  -15.7259
            33  C1a C    39.1533  -10.8356
            34  C1a C    38.6402  -12.7623
            35  C1a C    37.2535  -10.3299
BOND        38
            1     5   6 1
            2     6   1 2
            3     4   7 1
            4     1   2 1
            5    11  12 1
            6    12  13 2
            7    13   8 1
            8    15  17 2
            9    17  18 1
            10   18  19 2
            11   19  20 1
            12   20  21 2
            13   21  15 1
            14   16  22 1
            15   12  14 1
            16   14  15 1
            17    8   9 2
            18   14  16 1
            19   22  23 1
            20   23  24 1
            21   24  25 1
            22   25  26 1
            23   26  27 1
            24   27  22 1
            25    9  10 1
            26   25  28 1
            27   10  11 2
            28   28  29 1
            29   29  30 1
            30    2   3 2
            31   30  31 1
            32   31   1 1
            33    3   4 1
            34   31  32 2
            35    4   5 2
            36    7  33 1
            37    7  34 1
            38    7  35 1