KEGG   DRUG: Abediterol
Entry
D10219                      Drug                                   
Name
Abediterol (USAN/INN)
Formula
C25H30F2N2O4
Exact mass
460.2174
Mol weight
460.5135
Structure
Class
Cardiovascular agent
 DG01456  Adrenergic receptor agonist
  DG01455  beta-Adrenergic receptor agonist
   DG01452  beta2-Adrenergic receptor agonist
Remark
Chemical structure group: DG01232
Efficacy
Bronchodilator, beta2-Adrenergic receptor agonist
Comment
Phenethylamine derivative
Treatment of asthma and COPD
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
     DG01232  Abediterol
      D10219  Abediterol
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRB2
     D10219  Abediterol (USAN/INN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01456  Adrenergic receptor agonist
   DG01455  beta-Adrenergic receptor agonist
    DG01452  beta2-Adrenergic receptor agonist
     DG01232  Abediterol
Other DBs
CAS: 915133-65-2
PubChem: 163312250
ChEBI: 142077
KCF data

ATOM        33
            1   C8x C    29.4700  -18.3400
            2   C8x C    29.4700  -19.7400
            3   C8x C    28.2800  -20.4400
            4   C8x C    27.0200  -19.7400
            5   C8y C    27.0200  -18.3400
            6   C8x C    28.2800  -17.6400
            7   C1d C    25.8300  -17.6400
            8   C1b C    24.5700  -18.3400
            9   O2a O    23.3800  -17.6400
            10  C1b C    22.1900  -18.3400
            11  C1b C    21.0000  -17.6400
            12  C1b C    19.8100  -18.3400
            13  C1b C    18.6200  -17.6400
            14  C1b C    17.4300  -18.3400
            15  C1b C    16.2400  -17.6400
            16  N1b N    15.0500  -18.3400
            17  C1b C    13.8600  -17.6400
            18  C1c C    12.6700  -18.3400
            19  C8y C    11.4800  -17.6400
            20  C8x C    10.2900  -18.3400
            21  C8x C     8.9600  -17.6400
            22  C8y C     8.9600  -16.2400
            23  C8y C    10.2200  -15.5400
            24  C8y C    11.4800  -16.2400
            25  O1a O     7.7700  -15.5400
            26  O1a O    12.6700  -19.7400
            27  X   F    26.8100  -16.6600
            28  X   F    24.8500  -16.6600
            29  N4x N    10.1500  -14.1400
            30  C8y C    11.3400  -13.3700
            31  C8x C    12.6000  -14.0700
            32  C8x C    12.6000  -15.4700
            33  O5x O    11.3400  -11.9700
BOND        35
            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   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 2
            21   20  21 1
            22   21  22 2
            23   22  23 1
            24   23  24 2
            25   19  24 1
            26   22  25 1
            27   18  26 1 #Down
            28    7  27 1
            29    7  28 1
            30   23  29 1
            31   29  30 1
            32   30  31 1
            33   31  32 2
            34   24  32 1
            35   30  33 2

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Ontology (2)   
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Drug (1)   
   KEGG DGROUP (1)   
Chemical substance (2)   
   PubChem (1)   
   ChEBI (1)   
Gene (2)   
   KEGG ORTHOLOGY (1)   
   KEGG GENES (1)   
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