| Entry |
|
|---|
| Name |
Colterol mesylate (USAN) |
|---|
| Formula |
C12H19NO3. CH4SO3
|
|---|
| Exact mass |
321.1246
|
|---|
| Mol weight |
321.3898
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01452 beta2-Adrenergic receptor agonist
DG01951 Catecholamine adrenergic receptor agonist
|
|---|
| Efficacy |
Bronchodilator, beta2-Adrenergic receptor agonist |
|---|
| Comment |
Phenethylamine derivative
|
|---|
| 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
D03587 Colterol mesylate
DG01951 Catecholamine adrenergic receptor agonist
D03587 Colterol mesylate
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRB2
D03587 Colterol mesylate (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 21
1 C8x C 2.9400 -5.8100
2 C8y C 2.9400 -4.4100
3 C8y C 4.1300 -3.7100
4 C8x C 5.3900 -4.4100
5 C8y C 5.3900 -5.8100
6 C8x C 4.1300 -6.5100
7 O1a O 1.7500 -3.7100
8 C1c C 6.5800 -6.5100
9 O1a O 4.1300 -2.3100
10 C1b C 7.7700 -5.8100
11 N1b N 8.9600 -6.5100
12 O1a O 6.5800 -7.9100
13 C1d C 10.1500 -5.8100
14 C1a C 11.3400 -6.5100
15 C1a C 10.1500 -4.4100
16 C1a C 11.3653 -5.1149
17 O1d O 17.5091 -3.8863
18 S4a S 17.5091 -5.2833
19 C1a C 16.1122 -5.2833
20 O1d O 18.9061 -5.2833
21 O1d O 17.5091 -6.6802
BOND 20
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 2 7 1
8 5 8 1
9 3 9 1
10 8 10 1
11 10 11 1
12 8 12 1
13 11 13 1
14 13 14 1
15 13 15 1
16 13 16 1
17 17 18 2
18 18 19 1
19 18 20 1
20 18 21 2
|
|---|
