| Entry |
|
|---|
| Name |
Hexoprenaline (INN);
Ipradol (TN)
|
|---|
| Formula |
C22H32N2O6
|
|---|
| Exact mass |
420.226
|
|---|
| Mol weight |
420.4993
|
|---|
| Structure |
   |
|---|
| Simcomp |
 |
|---|
| Class |
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01452 beta2-Adrenergic receptor agonist
DG01951 Catecholamine adrenergic receptor agonist
|
|---|
| Remark |
|
|---|
| Efficacy |
Bronchodilator, beta2-Adrenergic receptor agonist |
|---|
| Comment |
Phenethylamine derivative
|
|---|
| 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
R03AC06 Hexoprenaline
D08039 Hexoprenaline (INN)
R03C ADRENERGICS FOR SYSTEMIC USE
R03CC Selective beta-2-adrenoreceptor agonists
R03CC05 Hexoprenaline
D08039 Hexoprenaline (INN)
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRB2
D08039 Hexoprenaline (INN)
 |
|---|
| Other DBs |
|
|---|
| LinkDB |
 |
|---|
| KCF data |
ATOM 30
1 C8y C 14.9100 -18.2000
2 C1c C 16.1700 -18.9000
3 C8x C 14.9100 -16.8000
4 C8x C 13.7200 -18.9000
5 C1b C 17.3600 -18.2000
6 O1a O 16.1700 -20.3000
7 C8y C 13.7200 -16.1000
8 C8x C 12.5300 -18.2000
9 N1b N 18.5500 -18.9000
10 C8y C 12.5300 -16.8000
11 O1a O 13.7200 -14.6300
12 C1b C 19.8100 -18.2000
13 O1a O 11.3400 -16.1000
14 C1b C 21.0000 -18.9000
15 C1b C 22.1900 -18.2000
16 C1b C 23.4500 -18.9000
17 C1b C 24.6400 -18.2000
18 C1b C 25.8300 -18.9000
19 N1b N 27.0900 -18.2000
20 C1b C 28.2800 -18.9000
21 C1c C 29.4700 -18.2000
22 C8y C 30.7300 -18.9000
23 O1a O 29.4700 -16.8000
24 C8x C 30.7300 -20.3000
25 C8y C 31.9200 -21.0000
26 C8y C 33.1100 -20.3000
27 C8x C 33.1100 -18.9000
28 C8x C 31.9200 -18.2000
29 O1a O 31.9200 -22.4000
30 O1a O 34.3700 -21.0000
BOND 31
1 16 17 1
2 1 3 1
3 17 18 1
4 1 4 2
5 18 19 1
6 2 5 1
7 19 20 1
8 2 6 1
9 20 21 1
10 3 7 2
11 21 22 1
12 4 8 1
13 21 23 1
14 5 9 1
15 7 10 1
16 7 11 1
17 9 12 1
18 10 13 1
19 22 24 2
20 24 25 1
21 25 26 2
22 26 27 1
23 27 28 2
24 28 22 1
25 12 14 1
26 25 29 1
27 8 10 2
28 26 30 1
29 14 15 1
30 15 16 1
31 1 2 1
|
|---|
