KEGG   DRUG: D07890Help
Entry
D07890                      Drug                                   

Name
Emedastine (INN);
Emadine (TN)
Formula
C17H26N4O
Exact mass
302.2107
Mol weight
302.4145
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antiallergic;
Histamine, H1-receptor antagonist
Remark
Same as: 
ATC code: 
Drug group: 
Target
H1-receptor antagonist [HSA:3269] [KO:K04149]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction  
 
Interaction
Drug interaction
Structure map
Histamine H1 receptor antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01G DECONGESTANTS AND ANTIALLERGICS
    S01GX Other antiallergics
     S01GX06 Emedastine
      D07890  Emedastine (INN)
USP drug classification [BR:br08302]
 Ophthalmic Agents
  Ophthalmic Anti-allergy Agents
   Emedastine
    D07890  Emedastine (INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Category 2
  Inorganic and organic chemicals
   Emedastine
    D07890  Emedastine (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    H1-receptor
     Emedastine
      D07890  Emedastine (INN)
BRITE hierarchy
Other DBs
CAS: 
87233-61-2
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        22
            1   C1x C    20.8600  -21.8400
            2   C1x C    20.0200  -20.7200
            3   C1x C    20.3700  -19.3900
            4   N1y N    21.6300  -18.8300
            5   N1y N    22.2600  -21.8400
            6   C1x C    22.8900  -19.4600
            7   C1x C    23.1700  -20.7900
            8   C1a C    22.9600  -23.1000
            9   C8y C    21.6300  -17.4300
            10  N4y N    22.7500  -16.5900
            11  C8y C    22.3300  -15.2600
            12  C8y C    20.9300  -15.2600
            13  N5x N    20.5100  -16.5900
            14  C8x C    23.1000  -14.0700
            15  C8x C    22.4000  -12.8100
            16  C8x C    21.0000  -12.8100
            17  C8x C    20.3000  -14.0700
            18  C1b C    24.1500  -16.5900
            19  C1b C    24.8500  -15.4000
            20  O2a O    26.2500  -15.4000
            21  C1b C    26.9500  -14.2100
            22  C1a C    28.3500  -14.2100
BOND        24
            1     3   4 1
            2     1   5 1
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     5   8 1
            9     4   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14    9  13 2
            15   11  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   12  17 2
            20   10  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1

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