KEGG   DRUG: D08474Help
Entry
D08474                      Drug                                   

Name
Reproterol (INN)
Formula
C18H23N5O5
Exact mass
389.1699
Mol weight
389.4057
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antiasthmatic;
beta2-Sympathomimetic;
Bronchodilator [DS:H00079]
Remark
ATC code: 
Drug group: 
Target
beta2-adrenergic receptor agonist [HSA:154] [KO:K04142]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04144  Endocytosis
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04970  Salivary secretion  
 
Interaction
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
     R03AC15 Reproterol
      D08474  Reproterol (INN)
   R03C ADRENERGICS FOR SYSTEMIC USE
    R03CC Selective beta-2-adrenoreceptor agonists
     R03CC14 Reproterol
      D08474  Reproterol (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta2-adrenergic receptor
     Reproterol
      D08474  Reproterol (INN)
BRITE hierarchy
Other DBs
CAS: 
54063-54-6
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        28
            1   C8x C    11.0600  -15.3300
            2   C8y C    11.0600  -16.7300
            3   C8x C    12.3200  -17.4300
            4   C8y C    13.5800  -16.7300
            5   C8x C    13.5800  -15.3300
            6   C8y C    12.3200  -14.6300
            7   O1a O    12.3200  -13.2300
            8   O1a O     9.8700  -17.4300
            9   C1c C    14.7700  -17.4300
            10  C1b C    15.9600  -16.7300
            11  O1a O    14.7700  -18.8300
            12  N1b N    17.1500  -17.4300
            13  C1b C    18.3400  -16.7300
            14  C1b C    19.5300  -17.4300
            15  C1b C    20.7900  -16.7300
            16  N4y N    21.9800  -17.5000
            17  C8y C    23.2400  -16.9400
            18  C8y C    24.2200  -17.9900
            19  N5x N    23.4500  -19.1100
            20  C8x C    22.1200  -18.9000
            21  C8y C    23.7300  -15.6100
            22  N4y N    25.0600  -15.3300
            23  C8y C    26.0400  -16.3800
            24  N4y N    25.5500  -17.7100
            25  O5x O    22.8200  -14.5600
            26  C1a C    25.5500  -14.0000
            27  O5x O    27.3700  -16.1000
            28  C1a C    26.5300  -18.7600
BOND        30
            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     6   7 1
            8     2   8 1
            9     4   9 1
            10    9  10 1
            11    9  11 1
            12   10  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 2
            19   18  19 1
            20   19  20 2
            21   16  20 1
            22   17  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   18  24 1
            27   21  25 2
            28   22  26 1
            29   23  27 2
            30   24  28 1

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