| Entry |
|
|---|
| Name |
Vilanterol (USAN/INN) |
|---|
| Formula |
C24H33Cl2NO5
|
|---|
| Exact mass |
485.1736
|
|---|
| Mol weight |
486.42
|
|---|
| Structure |
|
|---|
| Class |
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01452 beta2-Adrenergic receptor agonist
|
|---|
| Remark |
| Product (mixture): | D10501<JP/US> D10533<JP/US> D11035<JP/US> |
|
|---|
| Efficacy |
Bronchodilator, beta2-Adrenergic receptor agonist |
|---|
| Comment |
Phenethylamine derivative
long-acting beta2 agonist (LABA)
Treatment of COPD and asthma
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01452 beta2-Adrenergic receptor agonist
DG01236 Vilanterol
D09696 Vilanterol
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRB2
D09696 Vilanterol (USAN/INN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01452 beta2-Adrenergic receptor agonist
DG01236 Vilanterol
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 32
1 C8y C 8.3300 -15.8900
2 C8y C 8.3300 -14.4200
3 C8x C 9.5900 -13.7200
4 C8x C 10.7800 -14.4200
5 C8y C 10.7800 -15.8900
6 C8x C 9.5900 -16.5900
7 C1c C 12.0400 -16.5900
8 C1b C 13.2300 -15.8900
9 N1b N 14.4200 -16.5900
10 C1b C 15.6800 -15.8900
11 C1b C 16.8700 -16.5900
12 C1b C 18.0600 -15.8900
13 C1b C 19.2500 -16.5900
14 C1b C 20.4400 -15.8900
15 C1b C 21.6300 -16.5900
16 O2a O 22.8200 -15.8900
17 O1a O 12.0400 -17.9900
18 C1b C 24.0800 -16.5900
19 C1b C 25.2700 -15.8900
20 O2a O 26.4600 -16.5900
21 C1b C 27.6500 -15.8900
22 C8y C 28.8400 -16.5900
23 C8y C 30.0300 -15.8900
24 C8x C 31.2900 -16.5900
25 C8x C 31.2900 -17.9900
26 C8x C 30.1000 -18.6900
27 C8y C 28.8400 -17.9900
28 X Cl 27.5800 -18.6900
29 X Cl 30.0300 -14.4200
30 C1b C 7.1400 -16.5900
31 O1a O 5.9500 -15.8900
32 O1a O 7.1400 -13.7200
BOND 33
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 5 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 7 17 1 #Down
18 16 18 1
19 18 19 1
20 19 20 1
21 20 21 1
22 21 22 1
23 22 23 1
24 23 24 2
25 24 25 1
26 25 26 2
27 26 27 1
28 22 27 2
29 27 28 1
30 23 29 1
31 1 30 1
32 30 31 1
33 2 32 1
|
|---|
