| Entry |
|
|---|
| Name |
Bitolterol (INN) |
|---|
| Formula |
C28H31NO5
|
|---|
| Exact mass |
461.2202
|
|---|
| Mol weight |
461.5494
|
|---|
| 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
R03AC17 Bitolterol
D07534 Bitolterol (INN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01452 beta2-Adrenergic receptor agonist
DG01056 Bitolterol
D07534 Bitolterol
DG01951 Catecholamine adrenergic receptor agonist
DG01056 Bitolterol
D07534 Bitolterol
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRB2
D07534 Bitolterol (INN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01452 beta2-Adrenergic receptor agonist
DG01056 Bitolterol
DG01951 Catecholamine adrenergic receptor agonist
DG01056 Bitolterol
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 34
1 C8y C 25.9700 -17.5700
2 C1c C 27.1600 -18.2700
3 C1b C 28.4200 -17.5700
4 N1b N 29.6100 -18.2700
5 C1d C 30.8000 -17.5700
6 C8x C 25.9700 -16.1700
7 C8x C 24.7800 -15.4700
8 C8y C 23.5200 -16.1700
9 C8y C 23.5200 -17.5700
10 C8x C 24.7800 -18.2700
11 O1a O 27.1600 -19.6700
12 C1a C 32.0600 -16.8700
13 O7a O 22.3300 -15.4700
14 O7a O 22.3300 -18.2700
15 C7a C 21.1400 -16.1700
16 C8y C 19.9500 -15.4700
17 C8x C 19.9500 -14.0700
18 C8x C 18.6900 -13.3700
19 C8y C 17.5000 -14.0700
20 C8x C 17.5000 -15.4700
21 C8x C 18.6900 -16.1700
22 C1a C 16.3100 -13.3700
23 O6a O 21.1400 -17.5700
24 C7a C 22.3300 -19.6700
25 C8y C 21.1400 -20.3700
26 O6a O 23.5200 -20.3700
27 C8x C 19.9500 -19.6700
28 C8x C 18.6900 -20.3700
29 C8y C 18.6900 -21.7700
30 C8x C 19.8800 -22.4700
31 C8x C 21.1400 -21.7700
32 C1a C 17.5000 -22.4700
33 C1a C 30.1000 -16.3800
34 C1a C 31.5700 -18.7600
BOND 36
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 6 2
6 6 7 1
7 7 8 2
8 8 9 1
9 9 10 2
10 1 10 1
11 2 11 1
12 5 12 1
13 8 13 1
14 9 14 1
15 13 15 1
16 15 16 1
17 16 17 2
18 17 18 1
19 18 19 2
20 19 20 1
21 20 21 2
22 16 21 1
23 19 22 1
24 15 23 2
25 14 24 1
26 24 25 1
27 24 26 2
28 25 27 2
29 27 28 1
30 28 29 2
31 29 30 1
32 30 31 2
33 25 31 1
34 29 32 1
35 5 33 1
36 5 34 1
|
|---|
