KEGG   DRUG: D06063Help
Entry
D06063                      Drug                                   

Name
Temelastine (USAN/INN)
Formula
C21H24BrN5O
Exact mass
441.1164
Mol weight
442.3522
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antihistaminic
Target
H1-receptor antagonist [HSA:3269] [KO:K04149]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction  
 
Structure map
Histamine H1 receptor antagonists
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    H1-receptor
     Temelastine
      D06063  Temelastine (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
86181-42-2
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        28
            1   C8x C     8.0500  -13.5100
            2   C8y C     8.0500  -14.9100
            3   C8x C     9.2624  -15.6100
            4   C8y C    10.4749  -14.9100
            5   C8y C    10.4749  -13.5100
            6   N5x N     9.2624  -12.8100
            7   X   Br    6.8376  -15.6100
            8   C1a C    11.7060  -15.6210
            9   C1b C    11.7060  -12.7990
            10  C1b C    12.9112  -13.4947
            11  C1b C    14.0935  -12.8119
            12  C1b C    15.2875  -13.5012
            13  N1b N    16.4754  -12.8152
            14  C8y C    17.6665  -13.5029
            15  N4x N    17.6666  -14.9097
            16  C8y C    18.8791  -15.6097
            17  C8y C    20.0915  -14.9096
            18  C8x C    20.0914  -13.5027
            19  N5x N    18.8789  -12.8028
            20  O5x O    18.8792  -17.0098
            21  C1b C    21.3030  -15.6090
            22  C8y C    22.4976  -14.9190
            23  C8x C    23.6855  -15.6047
            24  C8x C    24.8979  -14.9046
            25  C8y C    24.8977  -13.5046
            26  N5x N    23.7098  -12.8189
            27  C8x C    22.4975  -13.5190
            28  C1a C    26.1243  -12.7960
BOND        30
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     2   7 1
            8     4   8 1
            9     5   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   14  19 2
            21   16  20 2
            22   17  21 1
            23   21  22 1
            24   22  23 2
            25   23  24 1
            26   24  25 2
            27   25  26 1
            28   26  27 2
            29   22  27 1
            30   25  28 1

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