| Entry |
|
|---|
| Name |
Bunitrolol hydrochloride (JAN);
Betrilol (TN) |
|---|
| Formula |
C14H20N2O2. HCl
|
|---|
| Exact mass |
284.1292
|
|---|
| Mol weight |
284.7817
|
|---|
| Structure |
|
|---|
| Class |
Cardiovascular agent
DG01466 Adrenergic receptor antagonist
DG03180 alpha1 and beta-Adrenergic receptor antagonist
DG03231 Antihypertensive
DG03180 alpha1 and beta-Adrenergic receptor antagonist
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
|
|---|
| Efficacy |
Antihypertensive, Vasodilator, alpha1/beta-Adrenergic receptor antagonist |
|---|
| Comment |
Propranolol derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04261 | Adrenergic signaling in cardiomyocytes |
| hsa04270 | Vascular smooth muscle contraction |
|
|---|
| Metabolism |
Enzyme: CYP2D6 [HSA: 1565]
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Cardiovascular agent
DG01466 Adrenergic receptor antagonist
DG03180 alpha1 and beta-Adrenergic receptor antagonist
D01444 Bunitrolol hydrochloride
DG03231 Antihypertensive
DG03180 alpha1 and beta-Adrenergic receptor antagonist
D01444 Bunitrolol hydrochloride
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
D01444 Bunitrolol hydrochloride
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRA1
D01444 Bunitrolol hydrochloride (JAN)
ADRB
D01444 Bunitrolol hydrochloride (JAN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D01444
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 19
1 X Cl 28.0805 -16.6064
2 C8x C 23.8210 -17.5700
3 C8x C 23.8151 -16.1619
4 C8x C 22.6058 -18.2711
5 C8y C 22.6058 -15.4608
6 C8x C 21.3906 -17.5641
7 C8y C 21.3906 -16.1619
8 C3b C 20.1755 -15.4608
9 N3a N 18.9614 -14.7713
10 O2a O 22.6071 -14.0631
11 C1b C 23.8183 -13.3656
12 C1c C 25.0282 -14.0656
13 C1b C 26.2394 -13.3679
14 N1b N 27.4491 -14.0682
15 C1d C 28.6603 -13.3705
16 O1a O 25.0267 -15.4634
17 C1a C 29.8702 -14.0705
18 C1a C 28.6618 -11.9727
19 C1a C 29.8666 -12.6577
BOND 18
1 14 15 1
2 7 8 1
3 8 9 3
4 6 7 2
5 5 10 1
6 2 3 1
7 10 11 1
8 2 4 2
9 11 12 1
10 3 5 2
11 12 13 1
12 4 6 1
13 13 14 1
14 16 12 1
15 15 17 1
16 15 18 1
17 5 7 1
18 15 19 1
|
|---|
