| Entry |
|
|---|
| Name |
Bopindolol (INN);
Sandonorm (TN) |
|---|
| Formula |
C23H28N2O3
|
|---|
| Exact mass |
380.21
|
|---|
| Mol weight |
380.48
|
|---|
| Structure |
|
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| Simcomp |
|
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| Class |
Cardiovascular agent
DG01466 Adrenergic receptor antagonist
DG01464 beta-Adrenergic receptor antagonist (Beta blocker)
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
|
|---|
| Remark |
|
|---|
| Efficacy |
Antihypertensive, beta-Adrenergic receptor antagonist |
|---|
| Comment |
Propranolol derivative
Active form of prodrug: 18-502 [CPD: C21520]
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04261 | Adrenergic signaling in cardiomyocytes |
|
|---|
| Metabolism |
Enzyme: CYP2D6 [HSA: 1565]
|
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| Interaction |
|
|---|
| 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
C07AA17 Bopindolol
D07537 Bopindolol (INN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01466 Adrenergic receptor antagonist
DG01464 beta-Adrenergic receptor antagonist (Beta blocker)
DG00310 Bopindolol
D07537 Bopindolol
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG00310 Bopindolol
D07537 Bopindolol
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRB
D07537 Bopindolol (INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D07537
Drug groups [BR:br08330]
Cardiovascular agent
DG01466 Adrenergic receptor antagonist
DG01464 beta-Adrenergic receptor antagonist (Beta blocker)
DG00310 Bopindolol
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG00310 Bopindolol
Prodrugs [br08324.html]
DG00310
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 28
1 O2a O 22.8900 -16.9400
2 C8y C 22.8900 -18.2700
3 C8x C 24.1500 -18.9700
4 C8x C 24.1500 -20.3700
5 C8x C 22.8900 -21.0700
6 C8y C 21.7000 -18.9700
7 C8y C 21.7000 -20.3700
8 N4x N 20.3700 -20.7900
9 C8y C 19.5300 -19.6000
10 C8x C 20.3700 -18.4800
11 C1a C 18.1300 -19.6000
12 C1b C 24.1500 -16.2400
13 C1c C 25.3400 -16.9400
14 C1b C 26.5300 -16.2400
15 N1b N 27.7200 -16.9400
16 C1d C 28.9100 -16.2400
17 C1a C 30.1700 -16.9400
18 C1a C 28.9100 -14.8400
19 C1a C 30.1700 -15.4700
20 C7a C 26.0400 -19.6000
21 O6a O 25.3400 -20.7900
22 C8y C 27.4400 -19.6000
23 C8x C 28.1400 -20.7900
24 C8x C 29.5400 -20.7900
25 C8x C 28.1400 -18.3400
26 C8x C 29.5400 -18.3400
27 C8x C 30.2400 -19.6000
28 O7a O 25.3400 -18.3400
BOND 30
1 2 3 2
2 3 4 1
3 4 5 2
4 5 7 1
5 6 2 1
6 1 2 1
7 6 7 2
8 7 8 1
9 8 9 1
10 9 10 2
11 10 6 1
12 9 11 1
13 1 12 1
14 12 13 1
15 16 17 1
16 16 18 1
17 16 19 1
18 13 14 1
19 14 15 1
20 15 16 1
21 20 21 2
22 20 22 1
23 22 23 1
24 23 24 2
25 22 25 2
26 25 26 1
27 26 27 2
28 27 24 1
29 20 28 1
30 13 28 1
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