KEGG   DRUG: Vilanterol trifenatate
Entry
D09697                      Drug                                   
Name
Vilanterol trifenatate (JAN/USAN)
Formula
C24H33Cl2NO5. C20H16O2
Exact mass
773.2886
Mol weight
774.7684
Structure
Class
Cardiovascular agent
 DG01456  Adrenergic receptor agonist
  DG01455  beta-Adrenergic receptor agonist
   DG01452  beta2-Adrenergic receptor agonist
Remark
Chemical structure group: DG01236
Product (mixture): D10501<JP/US> D10533<JP/US> D11035<JP/US>
Efficacy
Bronchodilator, beta2-Adrenergic receptor agonist
Comment
Phenethylamine derivative
long-acting beta2 agonist (LABA)
Treatment of COPD and asthma
Target
ADRB2 [HSA:154] [KO:K04142]
  Pathway
hsa04020  Calcium signaling pathway
hsa04024  cAMP signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Brite
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01456  Adrenergic receptor agonist
   DG01455  beta-Adrenergic receptor agonist
    DG01452  beta2-Adrenergic receptor agonist
     DG01236  Vilanterol
      D09697  Vilanterol trifenatate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRB2
     D09697  Vilanterol trifenatate (JAN/USAN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01456  Adrenergic receptor agonist
   DG01455  beta-Adrenergic receptor agonist
    DG01452  beta2-Adrenergic receptor agonist
     DG01236  Vilanterol
Other DBs
CAS: 503070-58-4
PubChem: 124490437
ChEBI: 75040
LigandBox: D09697
KCF data

ATOM        54
            1   C8y C     8.4000  -13.4400
            2   C8y C     8.4000  -11.9700
            3   C8x C     9.6600  -11.2700
            4   C8x C    10.8500  -11.9700
            5   C8y C    10.8500  -13.4400
            6   C8x C     9.6600  -14.1400
            7   C1c C    12.0400  -14.1400
            8   C1b C    13.2300  -13.4400
            9   N1b N    14.4200  -14.1400
            10  C1b C    15.6800  -13.4400
            11  C1b C    16.8700  -14.1400
            12  C1b C    18.0600  -13.4400
            13  C1b C    19.2500  -14.1400
            14  C1b C    20.4400  -13.4400
            15  C1b C    21.6300  -14.1400
            16  O2a O    22.8200  -13.4400
            17  O1a O    12.0400  -15.5400
            18  C1b C    24.0800  -14.1400
            19  C1b C    25.2700  -13.4400
            20  O2a O    26.4600  -14.1400
            21  C1b C    27.6500  -13.4400
            22  C8y C    28.8400  -14.1400
            23  C8y C    30.0300  -13.4400
            24  C8x C    31.2900  -14.1400
            25  C8x C    31.2900  -15.5400
            26  C8x C    30.1000  -16.2400
            27  C8y C    28.8400  -15.5400
            28  X   Cl   27.5800  -16.2400
            29  X   Cl   30.0300  -11.9700
            30  C1b C     7.2100  -14.1400
            31  O1a O     6.0200  -13.4400
            32  O1a O     7.2100  -11.2700
            33  C8y C    19.1800  -20.0900
            34  C1d C    20.5800  -20.0900
            35  C8y C    21.9800  -20.0900
            36  C8y C    20.5800  -18.6900
            37  C6a C    20.5800  -21.4900
            38  O6a O    19.3900  -22.1900
            39  O6a O    21.8400  -22.1900
            40  C8x C    21.8400  -17.9900
            41  C8x C    21.8400  -16.5900
            42  C8x C    20.5800  -15.8900
            43  C8x C    19.3900  -16.5900
            44  C8x C    19.3900  -17.9900
            45  C8x C    22.6800  -21.2800
            46  C8x C    24.0800  -21.2800
            47  C8x C    24.7800  -20.0900
            48  C8x C    24.0800  -18.9000
            49  C8x C    22.6800  -18.9000
            50  C8x C    18.4800  -18.9000
            51  C8x C    17.0800  -18.9000
            52  C8x C    16.3800  -20.0900
            53  C8x C    17.0800  -21.2800
            54  C8x C    18.4800  -21.2800
BOND        57
            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     5   7 1
            8     7   8 1
            9     8   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    7  17 1 #Down
            18   16  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24   23  24 2
            25   24  25 1
            26   25  26 2
            27   26  27 1
            28   22  27 2
            29   27  28 1
            30   23  29 1
            31    1  30 1
            32   30  31 1
            33    2  32 1
            34   33  34 1
            35   34  35 1
            36   34  36 1
            37   34  37 1
            38   37  38 2
            39   37  39 1
            40   36  40 2
            41   40  41 1
            42   41  42 2
            43   42  43 1
            44   43  44 2
            45   36  44 1
            46   35  45 2
            47   45  46 1
            48   46  47 2
            49   47  48 1
            50   48  49 2
            51   35  49 1
            52   33  50 2
            53   50  51 1
            54   51  52 2
            55   52  53 1
            56   53  54 2
            57   33  54 1

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