| Entry |
|
|---|
| Name |
Isoprenaline (INN) |
|---|
| Formula |
C11H17NO3
|
|---|
| Exact mass |
211.1208
|
|---|
| Mol weight |
211.2576
|
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| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Cardiovascular agent
DG01703 Cardiotonic
DG01699 Catecholamine cardiotonic
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01951 Catecholamine adrenergic receptor agonist
Metabolizing enzyme substrate
DG01592 COMT substrate
|
|---|
| Remark |
| Product (DG00211): | D01390<JP/US> D02150<JP> |
|
|---|
| Efficacy |
Bronchodilator, beta-Adrenergic receptor agonist |
|---|
| Comment |
Catecholamine derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04261 | Adrenergic signaling in cardiomyocytes |
|
|---|
| Metabolism |
|
|---|
| Interaction |
|
|---|
| Structure map |
| map07214 | beta-Adrenergic receptor agonists/antagonists |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C01 CARDIAC THERAPY
C01C CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
C01CA Adrenergic and dopaminergic agents
C01CA02 Isoprenaline
D08090 Isoprenaline (INN)
R RESPIRATORY SYSTEM
R03 DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
R03A ADRENERGICS, INHALANTS
R03AB Non-selective beta-adrenoreceptor agonists
R03AB02 Isoprenaline
D08090 Isoprenaline (INN)
R03C ADRENERGICS FOR SYSTEMIC USE
R03CB Non-selective beta-adrenoreceptor agonists
R03CB01 Isoprenaline
D08090 Isoprenaline (INN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01703 Cardiotonic
DG01699 Catecholamine cardiotonic
DG00211 Isoprenaline
D08090 Isoprenaline
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG00211 Isoprenaline
D08090 Isoprenaline
DG01951 Catecholamine adrenergic receptor agonist
DG00211 Isoprenaline
D08090 Isoprenaline
Metabolizing enzyme substrate
DG01592 COMT substrate
DG00211 Isoprenaline
D08090 Isoprenaline
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRB
D08090 Isoprenaline (INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D08090
Drug groups [BR:br08330]
Cardiovascular agent
DG01703 Cardiotonic
DG01699 Catecholamine cardiotonic
DG00211 Isoprenaline
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG00211 Isoprenaline
DG01951 Catecholamine adrenergic receptor agonist
DG00211 Isoprenaline
Metabolizing enzyme substrate
DG01592 COMT substrate
DG00211 Isoprenaline
|
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| Other DBs |
|
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| KCF data |
ATOM 15
1 C8y C 24.4564 -15.8617
2 C8x C 23.2685 -15.0930
3 C8x C 24.4564 -17.2592
4 C8y C 22.0108 -15.7918
5 C8x C 23.1987 -17.8880
6 C8y C 22.0108 -17.1194
7 O1a O 20.8229 -15.0232
8 O1a O 20.8229 -17.8182
9 C1c C 25.7142 -15.1629
10 C1b C 26.9021 -15.8617
11 N1b N 28.0899 -15.1629
12 C1c C 29.3477 -15.8617
13 C1a C 30.5356 -15.1629
14 O1a O 25.7142 -13.7654
15 C1a C 29.3477 -17.2592
BOND 15
1 1 2 1
2 1 3 2
3 2 4 2
4 3 5 1
5 4 6 1
6 4 7 1
7 6 8 1
8 5 6 2
9 1 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 9 14 1
15 12 15 1
|
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