KEGG   DRUG: Indacaterol maleate
Entry
D09319                      Drug                                   
Name
Indacaterol maleate (JAN/USAN);
Arcapta neohaler (TN)
Formula
C24H28N2O3. C4H4O4
Exact mass
508.221
Mol weight
508.5629
Structure
Simcomp
Class
Cardiovascular agent
 DG01456  Adrenergic receptor agonist
  DG01455  beta-Adrenergic receptor agonist
   DG01452  beta2-Adrenergic receptor agonist
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Transporter substrate
 DG01665  ABCB1 substrate
Remark
Therapeutic category: 2259
ATC code: R03AC18
Chemical structure group: DG01057
Product (DG01057): D09319<JP>
Product (mixture): D10505<JP> D11862<JP>
Efficacy
Bronchodilator, beta2-Adrenergic receptor agonist
  Disease
Chronic obstructive pulmonary disease [DS:H01714]
Comment
Phenethylamine derivative
Target
ADRB2 [HSA:154] [KO:K04142]
  Pathway
hsa04020  Calcium signaling pathway
hsa04024  cAMP signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Transporter: ABCB1 [HSA:5243]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R03 DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
   R03A ADRENERGICS, INHALANTS
    R03AC Selective beta-2-adrenoreceptor agonists
     R03AC18 Indacaterol
      D09319  Indacaterol maleate (JAN/USAN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  22  Respiratory organ agents
   225  Bronchodilators
    2259  Others
     D09319  Indacaterol maleate (JAN/USAN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01456  Adrenergic receptor agonist
   DG01455  beta-Adrenergic receptor agonist
    DG01452  beta2-Adrenergic receptor agonist
     DG01057  Indacaterol
      D09319  Indacaterol maleate
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01057  Indacaterol
     D09319  Indacaterol maleate
 Transporter substrate
  DG01665  ABCB1 substrate
   DG01057  Indacaterol
    D09319  Indacaterol maleate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRB2
     D09319  Indacaterol maleate (JAN/USAN) <JP>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D09319
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D09319
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D09319
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D09319
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D09319
 Drug transporters
  D09319
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D09319
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01456  Adrenergic receptor agonist
   DG01455  beta-Adrenergic receptor agonist
    DG01452  beta2-Adrenergic receptor agonist
     DG01057  Indacaterol
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01057  Indacaterol
 Transporter substrate
  DG01665  ABCB1 substrate
   DG01057  Indacaterol
Other DBs
CAS: 753498-25-8
PubChem: 96025999
ChEBI: 68573
LigandBox: D09319
KCF data

ATOM        37
            1   C1c C    12.1100  -17.5700
            2   C1b C    13.3700  -16.8700
            3   C8y C    10.9200  -16.8700
            4   N1b N    14.5600  -17.5000
            5   C1y C    15.7500  -16.8700
            6   C1x C    15.8900  -15.4700
            7   C8y C    17.2200  -15.1200
            8   C8y C    17.9900  -16.3800
            9   C1x C    17.0100  -17.4300
            10  C8x C    17.9200  -13.9300
            11  C8y C    19.3900  -13.9300
            12  C8y C    20.0900  -15.1200
            13  C8x C    19.3900  -16.3800
            14  C1b C    21.4200  -15.1200
            15  C1a C    22.1200  -13.9300
            16  C1b C    20.0200  -12.8100
            17  C1a C    21.4200  -12.8100
            18  C8y C     9.8000  -17.5000
            19  C8y C     8.5400  -16.8000
            20  C8y C     8.5400  -15.4000
            21  C8x C     9.8000  -14.7000
            22  C8x C    10.9200  -15.4000
            23  C8x C     9.8000  -18.9000
            24  C8x C     8.5400  -19.6000
            25  C8y C     7.3500  -18.9000
            26  N4x N     7.3500  -17.5000
            27  O5x O     6.1600  -19.6000
            28  O1a O     7.3500  -14.7000
            29  O1a O    12.1100  -18.9700
            30  C2b C    23.7300  -16.5200
            31  C2b C    25.4800  -16.5200
            32  C6a C    23.0300  -17.7100
            33  C6a C    26.1800  -17.7100
            34  O6a O    27.5100  -17.7100
            35  O6a O    21.6300  -17.7100
            36  O6a O    23.7300  -18.9000
            37  O6a O    25.4800  -18.9000
BOND        39
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     5   9 1
            10    7  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 2
            15   12  14 1
            16   14  15 1
            17   11  16 1
            18   16  17 1
            19    3  18 2
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24    3  22 1
            25   18  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 1
            29   19  26 1
            30   25  27 2
            31   20  28 1
            32    1  29 1 #Down
            33   30  31 2
            34   30  32 1
            35   31  33 1
            36   33  34 2
            37   32  35 1
            38   32  36 2
            39   33  37 1

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   KEGG BRITE (10)   
Disease (1)   
   KEGG DISEASE (1)   
Drug (2)   
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   LigandBox (1)   
Chemical substance (2)   
   PubChem (1)   
   ChEBI (1)   
Gene (2)   
   KEGG ORTHOLOGY (1)   
   KEGG GENES (1)   
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