| Entry |
|
|---|
| Name |
Pirbuterol hydrochloride (JAN/USAN) |
|---|
| Formula |
C12H20N2O3. 2HCl
|
|---|
| Exact mass |
312.1007
|
|---|
| Mol weight |
313.22
|
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| Structure |
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| Simcomp |
|
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| 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
|
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| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
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| Interaction |
|
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| 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
R03AC08 Pirbuterol
D01349 Pirbuterol hydrochloride (JAN/USAN)
R03C ADRENERGICS FOR SYSTEMIC USE
R03CC Selective beta-2-adrenoreceptor agonists
R03CC07 Pirbuterol
D01349 Pirbuterol hydrochloride (JAN/USAN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01452 beta2-Adrenergic receptor agonist
DG01048 Pirbuterol
D01349 Pirbuterol hydrochloride
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRB2
D01349 Pirbuterol hydrochloride (JAN/USAN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01452 beta2-Adrenergic receptor agonist
DG01048 Pirbuterol
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 19
1 X Cl 25.4800 -16.6600
2 C8y C 15.3300 -16.8000
3 N5x N 14.0700 -17.5000
4 C1c C 16.5200 -17.5000
5 C8x C 15.3300 -15.4000
6 C8y C 12.8800 -16.8000
7 C1b C 17.7100 -16.8000
8 O1a O 16.5200 -18.9000
9 C8x C 14.0700 -14.7000
10 C8y C 12.8800 -15.4000
11 C1b C 11.6900 -17.5000
12 N1b N 18.9000 -17.5000
13 O1a O 11.6900 -14.7000
14 O1a O 10.3600 -16.8000
15 C1d C 20.1600 -16.8000
16 C1a C 21.3500 -16.1000
17 C1a C 20.8600 -17.9900
18 C1a C 19.4600 -15.6100
19 X Cl 25.4800 -16.6600
BOND 17
1 2 3 1
2 2 4 1
3 2 5 2
4 3 6 2
5 4 7 1
6 4 8 1
7 5 9 1
8 6 10 1
9 6 11 1
10 7 12 1
11 10 13 1
12 11 14 1
13 12 15 1
14 9 10 2
15 15 16 1
16 15 17 1
17 15 18 1
BRACKET 1 23.7300 -17.4300 23.7300 -15.7500
1 26.3900 -15.7500 26.3900 -17.4300
1 2
ORIGINAL 1 1
REPEAT 1 19
|
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