KEGG   DRUG: D09318Help
Entry
D09318                      Drug                                   
Name
Indacaterol (USAN/INN)
Formula
C24H28N2O3
Exact mass
392.21
Mol weight
392.4907
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of COPD (Chronic obstructive pulmonary disease)
Remark
ATC code: 
Comment
long-acting beta-adrenoceptor agonist (LABA)
Target
beta2-adrenergic receptor agonist [HSA:154] [KO:K04142]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04144  Endocytosis
hsa04970  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)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta2-adrenergic receptor [HSA:154] [KO:K04142]
     Indacaterol [ATC:R03AC18]
      D09318  Indacaterol (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
312753-06-3
PubChem: 
LigandBox: 
KCF data Show

ATOM        29
            1   C1c C    12.0400  -18.6900
            2   C1b C    13.2524  -19.3900
            3   C8y C    10.8276  -19.3900
            4   N1b N    14.4479  -18.6996
            5   C1y C    15.6353  -19.3851
            6   C1x C    15.7819  -20.7794
            7   C8y C    17.1533  -21.0708
            8   C8y C    17.8543  -19.8566
            9   C1x C    16.9161  -18.8147
            10  C8x C    17.8534  -22.2832
            11  C8y C    19.2534  -22.2832
            12  C8y C    19.9543  -21.0689
            13  C8x C    19.2543  -19.8565
            14  C1b C    21.3500  -21.0689
            15  C1a C    22.0506  -22.2821
            16  C1b C    19.9427  -23.4766
            17  C1a C    21.3497  -23.4766
            18  C8y C     9.6321  -18.6996
            19  C8y C     8.4196  -19.3995
            20  C8y C     8.4194  -20.7995
            21  C8x C     9.6149  -21.4899
            22  C8x C    10.8274  -20.7900
            23  C8x C     9.6322  -17.2996
            24  C8x C     8.4199  -16.5995
            25  C8y C     7.2074  -17.2993
            26  N4x N     7.2072  -18.6993
            27  O5x O     5.9930  -16.5980
            28  O1a O     7.1966  -21.5054
            29  O1a O    12.0400  -17.2900
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 #Up

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