KEGG   DRUG: D08629Help
Entry
D08629                      Drug                                   

Name
Tretoquinol (INN)
Formula
C19H23NO5
Exact mass
345.1576
Mol weight
345.3896
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Bronchodilator;
beta2-Sympathomimetic [DS:H00079]
Remark
ATC code: 
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
     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 [HSA:154] [KO:K04142]
     Tretoquinol [ATC:R03AC09 R03CC09]
      D08629  Tretoquinol (INN)
BRITE hierarchy
Other DBs
CAS: 
30418-38-3
PubChem: 
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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