| Entry |
|
|---|
| Name |
Alprenolol (INN) |
|---|
| Formula |
C15H23NO2
|
|---|
| Exact mass |
249.1729
|
|---|
| Mol weight |
249.3486
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Cardiovascular agent
DG01466 Adrenergic receptor antagonist
DG01464 beta-Adrenergic receptor antagonist (Beta blocker)
DG01653 Antiarrhythmics
DG01806 Class II antiarrhythmic agent
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
|
|---|
| Remark |
|
|---|
| Efficacy |
Antiarrhythmic, beta-Adrenergic receptor antagonist |
|---|
| Comment |
Propranolol derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04261 | Adrenergic signaling in cardiomyocytes |
|
|---|
| Metabolism |
Enzyme: CYP2D6 [HSA: 1565]
|
|---|
| Interaction |
|
|---|
| Structure map |
| map07214 | beta-Adrenergic receptor agonists/antagonists |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C07 BETA BLOCKING AGENTS
C07A BETA BLOCKING AGENTS
C07AA Beta blocking agents, non-selective
C07AA01 Alprenolol
D07156 Alprenolol (INN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01466 Adrenergic receptor antagonist
DG01464 beta-Adrenergic receptor antagonist (Beta blocker)
DG00303 Alprenolol
D07156 Alprenolol
DG01653 Antiarrhythmics
DG01806 Class II antiarrhythmic agent
DG00303 Alprenolol
D07156 Alprenolol
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG00303 Alprenolol
D07156 Alprenolol
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRB
D07156 Alprenolol (INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D07156
Drug groups [BR:br08330]
Cardiovascular agent
DG01466 Adrenergic receptor antagonist
DG01464 beta-Adrenergic receptor antagonist (Beta blocker)
DG00303 Alprenolol
DG01653 Antiarrhythmics
DG01806 Class II antiarrhythmic agent
DG00303 Alprenolol
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG00303 Alprenolol
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 18
1 C1b C 23.5900 -16.1700
2 C1c C 24.7800 -16.8700
3 C1b C 25.9700 -16.1700
4 N1b N 27.1600 -16.8700
5 C1c C 28.4200 -16.1700
6 C1a C 29.6100 -16.8700
7 O2a O 22.3300 -16.8700
8 O1a O 24.7800 -18.2700
9 C1a C 28.4200 -14.7700
10 C8y C 22.3300 -18.2700
11 C8y C 21.1400 -18.9700
12 C8x C 21.1400 -20.3700
13 C8x C 22.3300 -21.0700
14 C8x C 23.5900 -20.3700
15 C8x C 23.5900 -18.9700
16 C1b C 19.9500 -18.2700
17 C2b C 18.7600 -18.9700
18 C2a C 18.7600 -20.3700
BOND 18
1 2 3 1
2 3 4 1
3 4 5 1
4 5 6 1
5 2 8 1
6 7 1 1
7 5 9 1
8 1 2 1
9 7 10 1
10 10 11 2
11 11 12 1
12 12 13 2
13 13 14 1
14 14 15 2
15 10 15 1
16 11 16 1
17 16 17 1
18 17 18 2
|
|---|
