| Entry |
|
|---|
| Name |
Labetalol (INN) |
|---|
| Formula |
C19H24N2O3
|
|---|
| Exact mass |
328.1787
|
|---|
| Mol weight |
328.4055
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Cardiovascular agent
DG01466 Adrenergic receptor antagonist
DG03180 alpha1 and beta-Adrenergic receptor antagonist
DG03231 Antihypertensive
DG03180 alpha1 and beta-Adrenergic receptor antagonist
|
|---|
| Remark |
| Product (DG00320): | D00600<JP/US> |
|
|---|
| Efficacy |
Antihypertensive, alpha1/beta-Adrenergic receptor antagonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04261 | Adrenergic signaling in cardiomyocytes |
| hsa04270 | Vascular smooth muscle contraction |
|
|---|
| Interaction |
|
|---|
| Structure map |
| map07214 | beta-Adrenergic receptor agonists/antagonists |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C07 BETA BLOCKING AGENTS
C07A BETA BLOCKING AGENTS
C07AG Alpha and beta blocking agents
C07AG01 Labetalol
D08106 Labetalol (INN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01466 Adrenergic receptor antagonist
DG03180 alpha1 and beta-Adrenergic receptor antagonist
DG00320 Labetalol
D08106 Labetalol
DG03231 Antihypertensive
DG03180 alpha1 and beta-Adrenergic receptor antagonist
DG00320 Labetalol
D08106 Labetalol
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRA1
D08106 Labetalol (INN)
ADRB1
D08106 Labetalol (INN)
ADRB2
D08106 Labetalol (INN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01466 Adrenergic receptor antagonist
DG03180 alpha1 and beta-Adrenergic receptor antagonist
DG00320 Labetalol
DG03231 Antihypertensive
DG03180 alpha1 and beta-Adrenergic receptor antagonist
DG00320 Labetalol
|
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| Other DBs |
|
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| KCF data |
ATOM 24
1 C8y C 13.1600 -15.8200
2 C8y C 13.1600 -14.4200
3 C8x C 14.3500 -13.7200
4 C8x C 15.6100 -14.4200
5 C8y C 15.6100 -15.8200
6 C8x C 14.3500 -16.5200
7 C1c C 16.8000 -16.5200
8 C1b C 18.0600 -15.8200
9 N1b N 19.2500 -16.5200
10 C1c C 20.4400 -15.8200
11 C1b C 21.7000 -16.5200
12 C1b C 22.8900 -15.8200
13 C8y C 24.0800 -16.5200
14 C5a C 11.9700 -16.5200
15 N1a N 10.7800 -15.8200
16 O5a O 11.9700 -17.9200
17 O1a O 11.9700 -13.7200
18 O1a O 16.8000 -17.9200
19 C1a C 20.4400 -14.4200
20 C8x C 25.3400 -15.8200
21 C8x C 26.5300 -16.5200
22 C8x C 26.5300 -17.9200
23 C8x C 25.3400 -18.6200
24 C8x C 24.0800 -17.9200
BOND 25
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 1 14 1
15 14 15 1
16 14 16 2
17 2 17 1
18 7 18 1
19 10 19 1
20 13 20 2
21 20 21 1
22 21 22 2
23 22 23 1
24 23 24 2
25 13 24 1
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