KEGG   DRUG: IsoprenalineHelp
Entry
D08090                      Drug                                   

Name
Isoprenaline (INN)
Formula
C11H17NO3
Exact mass
211.1208
Mol weight
211.2576
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Cardiovascular agent
 DG01703  Cardiotonic
  DG01699  Catecholamine cardiotonic
 DG01456  Adrenergic receptor agonist
  DG01455  beta-Adrenergic receptor agonist
   DG01451  beta1-Adrenergic receptor agonist
   DG01452  beta2-Adrenergic receptor agonist
   DG01453  beta3-Adrenergic receptor agonist
 DG01592  COMT substrate
Remark
Same as: 
ATC code: 
Chemical group: 
Activity
Bronchodilator, beta-Sympathomimetic
Comment
Catecholamines
Target
beta1-adrenergic receptor [HSA:153] [KO:K04141];
beta2-adrenergic receptor [HSA:154] [KO:K04142];
beta3-adrenergic receptor [HSA:155] [KO:K04143]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Adrenergic signaling in cardiomyocytes
Salivary secretion
Interaction
Drug interaction
Structure map
beta-Adrenergic receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01C CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
    C01CA Adrenergic and dopaminergic agents
     C01CA02 Isoprenaline
      D08090  Isoprenaline (INN)
 R RESPIRATORY SYSTEM
  R03 DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
   R03A ADRENERGICS, INHALANTS
    R03AB Non-selective beta-adrenoreceptor agonists
     R03AB02 Isoprenaline
      D08090  Isoprenaline (INN)
   R03C ADRENERGICS FOR SYSTEMIC USE
    R03CB Non-selective beta-adrenoreceptor agonists
     R03CB01 Isoprenaline
      D08090  Isoprenaline (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta1-adrenergic receptor
     Isoprenaline
      D08090  Isoprenaline (INN)
    beta2-adrenergic receptor
     Isoprenaline
      D08090  Isoprenaline (INN)
    beta3-adrenergic receptor
     Isoprenaline
      D08090  Isoprenaline (INN)
BRITE hierarchy
Other DBs
CAS: 
7683-59-2
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        15
            1   C8y C    24.4564  -15.8617
            2   C8x C    23.2685  -15.0930
            3   C8x C    24.4564  -17.2592
            4   C8y C    22.0108  -15.7918
            5   C8x C    23.1987  -17.8880
            6   C8y C    22.0108  -17.1194
            7   O1a O    20.8229  -15.0232
            8   O1a O    20.8229  -17.8182
            9   C1c C    25.7142  -15.1629
            10  C1b C    26.9021  -15.8617
            11  N1b N    28.0899  -15.1629
            12  C1c C    29.3477  -15.8617
            13  C1a C    30.5356  -15.1629
            14  O1a O    25.7142  -13.7654
            15  C1a C    29.3477  -17.2592
BOND        15
            1     1   2 1
            2     1   3 2
            3     2   4 2
            4     3   5 1
            5     4   6 1
            6     4   7 1
            7     6   8 1
            8     5   6 2
            9     1   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14    9  14 1
            15   12  15 1

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