| Entry |
|
|---|
| Name |
Reproterol (INN) |
|---|
| Formula |
C18H23N5O5
|
|---|
| Exact mass |
389.1699
|
|---|
| Mol weight |
389.41
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01452 beta2-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
R03AC15 Reproterol
D08474 Reproterol (INN)
R03C ADRENERGICS FOR SYSTEMIC USE
R03CC Selective beta-2-adrenoreceptor agonists
R03CC14 Reproterol
D08474 Reproterol (INN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01452 beta2-Adrenergic receptor agonist
DG01054 Reproterol
D08474 Reproterol
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRB2
D08474 Reproterol (INN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01452 beta2-Adrenergic receptor agonist
DG01054 Reproterol
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 28
1 C8x C 11.0600 -15.3300
2 C8y C 11.0600 -16.7300
3 C8x C 12.3200 -17.4300
4 C8y C 13.5800 -16.7300
5 C8x C 13.5800 -15.3300
6 C8y C 12.3200 -14.6300
7 O1a O 12.3200 -13.2300
8 O1a O 9.8700 -17.4300
9 C1c C 14.7700 -17.4300
10 C1b C 15.9600 -16.7300
11 O1a O 14.7700 -18.8300
12 N1b N 17.1500 -17.4300
13 C1b C 18.3400 -16.7300
14 C1b C 19.5300 -17.4300
15 C1b C 20.7900 -16.7300
16 N4y N 21.9800 -17.5000
17 C8y C 23.2400 -16.9400
18 C8y C 24.2200 -17.9900
19 N5x N 23.4500 -19.1100
20 C8x C 22.1200 -18.9000
21 C8y C 23.7300 -15.6100
22 N4y N 25.0600 -15.3300
23 C8y C 26.0400 -16.3800
24 N4y N 25.5500 -17.7100
25 O5x O 22.8200 -14.5600
26 C1a C 25.5500 -14.0000
27 O5x O 27.3700 -16.1000
28 C1a C 26.5300 -18.7600
BOND 30
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 6 7 1
8 2 8 1
9 4 9 1
10 9 10 1
11 9 11 1
12 10 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 2
19 18 19 1
20 19 20 2
21 16 20 1
22 17 21 1
23 21 22 1
24 22 23 1
25 23 24 1
26 18 24 1
27 21 25 2
28 22 26 1
29 23 27 2
30 24 28 1
|
|---|
