KEGG   DRUG: TretoquinolHelp
Entry
D08629                      Drug                                   

Name
Tretoquinol (INN)
Formula
C19H23NO5
Exact mass
345.1576
Mol weight
345.3896
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
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
     R03AC09 Tretoquinol
      D08629  Tretoquinol (INN)
   R03C ADRENERGICS FOR SYSTEMIC USE
    R03CC Selective beta-2-adrenoreceptor agonists
     R03CC09 Tretoquinol
      D08629  Tretoquinol (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta2-adrenergic receptor
     Tretoquinol
      D08629  Tretoquinol (INN)
BRITE hierarchy
Other DBs
CAS: 
30418-38-3
PubChem: 
ChEMBL: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        25
            1   C8y C    19.9500  -20.3700
            2   C8y C    19.9500  -21.7700
            3   C8x C    21.1400  -22.4700
            4   C8y C    22.3300  -21.7700
            5   C8y C    22.3300  -20.3700
            6   C8x C    21.1400  -19.6700
            7   C1x C    23.5200  -22.4700
            8   C1x C    24.7800  -21.7700
            9   N1x N    24.7800  -20.3700
            10  C1y C    23.5200  -19.6700
            11  O1a O    18.6900  -19.6700
            12  O1a O    18.6900  -22.4700
            13  C1b C    23.5200  -18.2700
            14  C8y C    24.7800  -17.5700
            15  C8x C    25.9700  -18.2700
            16  C8y C    27.1600  -17.5700
            17  C8y C    27.1600  -16.1700
            18  C8y C    25.9700  -15.4700
            19  C8x C    24.7800  -16.1700
            20  O2a O    28.4200  -18.2700
            21  O2a O    25.9700  -14.0700
            22  O2a O    28.4200  -15.4700
            23  C1a C    27.2300  -13.3700
            24  C1a C    29.6100  -16.1700
            25  C1a C    28.4200  -19.6700
BOND        27
            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     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    1  11 1
            13    2  12 1
            14   10  13 1 #Down
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   14  19 1
            22   16  20 1
            23   18  21 1
            24   17  22 1
            25   21  23 1
            26   22  24 1
            27   20  25 1

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