| Entry |
|
|---|
| Name |
Tretoquinol (INN) |
|---|
| Formula |
C19H23NO5
|
|---|
| Exact mass |
345.1576
|
|---|
| Mol weight |
345.39
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01452 beta2-Adrenergic receptor agonist
|
|---|
| Remark |
| Product (DG01049): | D05037<JP> |
|
|---|
| Efficacy |
Bronchodilator, beta2-Adrenergic receptor agonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| 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)
Drug groups [BR:br08330]
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01452 beta2-Adrenergic receptor agonist
DG01049 Tretoquinol
D08629 Tretoquinol
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRB2
D08629 Tretoquinol (INN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01452 beta2-Adrenergic receptor agonist
DG01049 Tretoquinol
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
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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