| Entry |
|
|---|
| Name |
Propranolol (INN);
Propranolol (TN) |
|---|
| Formula |
C16H21NO2
|
|---|
| Exact mass |
259.1572
|
|---|
| Mol weight |
259.3434
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Cardiovascular agent
DG01653 Antiarrhythmics
DG01806 Class II antiarrhythmic agent
DG01466 Adrenergic receptor antagonist
DG01464 beta-Adrenergic receptor antagonist
DG01461 beta1-Adrenergic receptor antagonist
DG01462 beta2-Adrenergic receptor antagonist
DG01463 beta3-Adrenergic receptor antagonist
Metabolizing enzyme substrate
DG01892 CYP1A2 substrate
DG01639 CYP2C19 substrate
DG01644 CYP2D6 substrate
|
|---|
| Remark |
| Product (DG00305): | D00483<JP/US> |
|
|---|
| Efficacy |
Antiarrhythmic, Antihypertensive, beta-Adrenergic receptor antagonist |
|---|
| Comment |
Class II antiarrhythmic agent
Propranolol derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04261 | Adrenergic signaling in cardiomyocytes |
|
|---|
| Metabolism |
Enzyme: CYP2D6 [HSA: 1565], CYP1A2 [HSA: 1544], CYP2C19 [HSA: 1557]
|
|---|
| 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
C07AA05 Propranolol
D08443 Propranolol (INN)
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRB
D08443 Propranolol (INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D08443
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 19
1 C8y C 21.0700 -18.9700
2 C8y C 22.3300 -18.2700
3 C8y C 21.0700 -20.3700
4 C8x C 19.8800 -18.2700
5 O2a O 22.3300 -16.8700
6 C8x C 23.5200 -18.9700
7 C8x C 22.2600 -21.0700
8 C8x C 19.8800 -21.0700
9 C8x C 18.6900 -18.9700
10 C1b C 23.5200 -16.1700
11 C8x C 23.5200 -20.3700
12 C8x C 18.6900 -20.3700
13 C1c C 24.7100 -16.8700
14 C1b C 25.9700 -16.1700
15 O1a O 24.7100 -18.2700
16 N1b N 27.1600 -16.8700
17 C1c C 28.3500 -16.1700
18 C1a C 29.6100 -16.8700
19 C1a C 28.3500 -14.7700
BOND 20
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1
10 6 11 1
11 8 12 2
12 10 13 1
13 13 14 1
14 13 15 1
15 14 16 1
16 16 17 1
17 17 18 1
18 17 19 1
19 7 11 2
20 9 12 1
|
|---|
