KEGG   DRUG: D09570Help
Entry
D09570                      Drug                                   

Name
Bilastine (INN)
Formula
C28H37N3O3
Exact mass
463.2835
Mol weight
463.6117
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antihistaminics
Remark
ATC code: 
Drug group: 
Target
H1-receptor antagonist [HSA:3269] [KO:K04149]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction  
 
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
     R06AX29 Bilastine
      D09570  Bilastine (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    H1-receptor
     Bilastine
      D09570  Bilastine (INN)
BRITE hierarchy
Other DBs
CAS: 
202189-78-4
PubChem: 
LigandBox: 
KCF data Show

ATOM        34
            1   C8x C     7.4200  -23.8700
            2   C8x C     7.4200  -25.2700
            3   C8x C     8.6324  -25.9700
            4   C8y C     9.8449  -25.2700
            5   C8y C     9.8449  -23.8700
            6   C8x C     8.6324  -23.1700
            7   N5x N    11.1764  -25.7026
            8   C8y C    11.9993  -24.5700
            9   N4y N    11.1764  -23.4374
            10  C1y C    13.3700  -24.5700
            11  C1x C    14.0700  -25.7824
            12  C1x C    15.4700  -25.7824
            13  N1y N    16.1700  -24.5700
            14  C1x C    15.4700  -23.3576
            15  C1x C    14.0700  -23.3576
            16  C1b C    17.5700  -24.5700
            17  C1b C    18.2700  -23.3576
            18  C8y C    19.6698  -23.3576
            19  C8x C    20.3797  -24.5868
            20  C8x C    21.7797  -24.5866
            21  C8y C    22.4796  -23.3741
            22  C8x C    21.7697  -22.1449
            23  C8x C    20.3697  -22.1451
            24  C1d C    23.8700  -23.3740
            25  C6a C    24.5727  -24.5909
            26  C1a C    24.5673  -22.1660
            27  O6a O    25.9698  -24.5907
            28  O6a O    23.8811  -25.7888
            29  C1a C    25.2700  -23.3740
            30  C1b C    11.1764  -22.0374
            31  C1b C    12.4008  -21.3302
            32  O2a O    13.6137  -22.0302
            33  C1b C    14.7922  -21.3495
            34  C1a C    15.9882  -22.0400
BOND        37
            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     4   7 1
            8     7   8 2
            9     8   9 1
            10    5   9 1
            11    8  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   10  15 1
            18   13  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 2
            22   19  20 1
            23   20  21 2
            24   21  22 1
            25   22  23 2
            26   18  23 1
            27   21  24 1
            28   24  25 1
            29   24  26 1
            30   25  27 1
            31   25  28 2
            32   24  29 1
            33    9  30 1
            34   30  31 1
            35   31  32 1
            36   32  33 1
            37   33  34 1

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