KEGG   DRUG: ReproterolHelp
Entry
D08474                      Drug                                   

Name
Reproterol (INN)
Formula
C18H23N5O5
Exact mass
389.1699
Mol weight
389.4057
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
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
Remark
ATC code: 
Chemical group: 
Activity
Bronchodilator, beta2-Adrenergic receptor agonist
Comment
Phenethylamine derivative
Target
ADRB2 [HSA:154] [KO:K04142]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Endocytosis
Adrenergic signaling in cardiomyocytes
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: 
ChEMBL: 
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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