KEGG   DRUG: Indacaterol maleateHelp
Entry
D09319                      Drug                                   

Name
Indacaterol maleate (JAN/USAN);
Arcapta neohaler (TN)
Product
Formula
C24H28N2O3. C4H4O4
Exact mass
508.221
Mol weight
508.5629
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Cardiovascular agent
 DG01456  Adrenergic receptor agonist
  DG01455  beta-Adrenergic receptor agonist
   DG01452  beta2-Adrenergic receptor agonist
 DG01466  Adrenergic receptor antagonist
  DG01464  beta-Adrenergic receptor antagonist
   DG01461  beta1-Adrenergic receptor antagonist
Transporter substrate
 DG01665  P-glycoprotein substrate
Remark
Therapeutic category: 
ATC code: 
Chemical group: 
Activity
Bronchodilator, beta2-Adrenergic receptor agonist
Comment
Phenethylamine derivative
long-acting beta-adrenoceptor agonist (LABA)
Treatment of COPD (Chronic obstructive pulmonary disease)
Target
ADRB2 [HSA:154] [KO:K04142]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Endocytosis
Adrenergic signaling in cardiomyocytes
Salivary secretion
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Transporter: ABCB1 [HSA:5243]
Interaction
Genomic biomarker: UGT1A1 [HSA:54658]
Drug 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)
USP drug classification [BR:br08302]
 Respiratory Tract/Pulmonary Agents
  Bronchodilators, Sympathomimetic
   Indacaterol
    D09319  Indacaterol maleate (JAN/USAN)
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)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta2-adrenergic receptor
     Indacaterol
      D09319  Indacaterol maleate (JAN/USAN)
Cytochrome P450 interactions [BR:br08309]
 Transporter substrates
  ABCB1
   Indacaterol
    D09319  Indacaterol maleate (JAN/USAN)
Respiratory agents [br08372.html]
 Bronchodilator
  D09319
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D09319
Pharmacogenomic biomarkers in FDA drug labels [br08341.html]
 Polymorphisms and germline mutations
  D09319
BRITE hierarchy
Other DBs
CAS: 
753498-25-8
PubChem: 
LigandBox: 
LinkDB All DBs
KCF data Show

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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