KEGG   DRUG: D06021Help
Entry
D06021                      Drug                                   

Name
Tecastemizole (USAN/INN)
Formula
C19H21FN4
Exact mass
324.175
Mol weight
324.3952
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antihistamine used in the treatment of allergic rhinitis
Comment
withdrawal drug
Target
H1-receptor antagonist [HSA:3269] [KO:K04149]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction  
 
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    H1-receptor
     Tecastemizole
      D06021  Tecastemizole (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
75970-99-9
PubChem: 
LigandBox: 
KCF data Show

ATOM        24
            1   C8y C    12.3200  -17.3600
            2   C8y C    12.3200  -18.7600
            3   N4y N    13.6515  -19.1926
            4   C8y C    14.4744  -18.0600
            5   N5x N    13.6515  -16.9274
            6   C8x C    11.1076  -16.6600
            7   C8x C     9.8951  -17.3600
            8   C8x C     9.8951  -18.7600
            9   C8x C    11.1076  -19.4600
            10  N1b N    15.8900  -18.0600
            11  C1b C    14.0803  -20.5122
            12  C8y C    15.4394  -20.8011
            13  C1y C    16.5900  -16.8476
            14  C1x C    17.9898  -16.8476
            15  C1x C    18.6898  -15.6351
            16  N1x N    17.9898  -14.4227
            17  C1x C    16.5900  -14.4227
            18  C1x C    15.8900  -15.6351
            19  C8x C    15.8716  -22.1312
            20  C8x C    17.2410  -22.4222
            21  C8y C    18.1778  -21.3817
            22  C8x C    17.7456  -20.0517
            23  C8x C    16.3761  -19.7607
            24  X   F    19.5615  -21.6762
BOND        27
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     1   5 1
            6     1   6 2
            7     6   7 1
            8     7   8 2
            9     8   9 1
            10    2   9 2
            11    4  10 1
            12    3  11 1
            13   11  12 1
            14   10  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   13  18 1
            21   12  19 2
            22   19  20 1
            23   20  21 2
            24   21  22 1
            25   22  23 2
            26   12  23 1
            27   21  24 1

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