KEGG   DRUG: IndacaterolHelp
Entry
D09318                      Drug                                   

Name
Indacaterol (USAN/INN)
Formula
C24H28N2O3
Exact mass
392.21
Mol weight
392.4907
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
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
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
      D09318  Indacaterol (USAN/INN)
USP drug classification [BR:br08302]
 Respiratory Tract/Pulmonary Agents
  Bronchodilators, Sympathomimetic
   Indacaterol
    D09318  Indacaterol (USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta2-adrenergic receptor
     Indacaterol
      D09318  Indacaterol (USAN/INN)
Cytochrome P450 interactions [BR:br08309]
 Transporter substrates
  ABCB1
   Indacaterol
    D09318  Indacaterol (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
312753-06-3
PubChem: 
LigandBox: 
KCF data Show

ATOM        29
            1   C1c C    16.5900  -17.5700
            2   C1b C    17.8500  -16.8700
            3   C8y C    15.4000  -16.8700
            4   N1b N    19.0400  -17.5000
            5   C1y C    20.2300  -16.8700
            6   C1x C    20.3700  -15.4700
            7   C8y C    21.7000  -15.1200
            8   C8y C    22.4700  -16.3800
            9   C1x C    21.4900  -17.4300
            10  C8x C    22.4000  -13.9300
            11  C8y C    23.8700  -13.9300
            12  C8y C    24.5700  -15.1200
            13  C8x C    23.8700  -16.3800
            14  C1b C    25.9700  -15.1200
            15  C1a C    26.6700  -13.9300
            16  C1b C    24.5000  -12.7400
            17  C1a C    25.9700  -12.7400
            18  C8y C    14.2100  -17.5000
            19  C8y C    12.9500  -16.8000
            20  C8y C    12.9500  -15.4000
            21  C8x C    14.2100  -14.7000
            22  C8x C    15.4000  -15.4000
            23  C8x C    14.2100  -18.9000
            24  C8x C    12.9500  -19.6000
            25  C8y C    11.7600  -18.9000
            26  N4x N    11.7600  -17.5000
            27  O5x O    10.5700  -19.6000
            28  O1a O    11.7600  -14.7000
            29  O1a O    16.5900  -18.9700
BOND        32
            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

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