| Entry |
|
|---|
| Name |
Bopindolol malonate (JAN);
Sandonorm (TN) |
|---|
| Formula |
C23H28N2O3. C3H4O4
|
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| Exact mass |
484.221
|
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| Mol weight |
484.5415
|
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| 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
|
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| Remark |
|
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| Efficacy |
Antihypertensive, beta-Adrenergic receptor antagonist |
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| Comment |
Propranolol derivative
Active form of prodrug: 18-502 [CPD: C21520]
|
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| Target |
|
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| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04261 | Adrenergic signaling in cardiomyocytes |
|
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| Metabolism |
Enzyme: CYP2D6 [HSA: 1565]
|
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| Interaction |
|
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| 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
D01794 Bopindolol malonate (JAN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01466 Adrenergic receptor antagonist
DG01464 beta-Adrenergic receptor antagonist (Beta blocker)
DG00310 Bopindolol
D01794 Bopindolol malonate
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG00310 Bopindolol
D01794 Bopindolol malonate
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRB
D01794 Bopindolol malonate (JAN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D01794
Prodrugs [br08324.html]
D01794
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 35
1 C1b C 38.6650 -25.6293
2 C6a C 37.4790 -24.9318
3 C6a C 39.9206 -24.9318
4 O6a O 36.2931 -25.6293
5 O6a O 37.4790 -23.5366
6 O6a O 41.1065 -25.6293
7 O6a O 39.9206 -23.5366
8 O2a O 25.8372 -23.1178
9 C8y C 25.8372 -24.4432
10 C8x C 27.0929 -25.1408
11 C8x C 27.0929 -26.5360
12 C8x C 25.8372 -27.2336
13 C8y C 24.6513 -25.1408
14 C8y C 24.6513 -26.5360
15 N4x N 23.3258 -26.9545
16 C8y C 22.4887 -25.7686
17 C8x C 23.3258 -24.6525
18 C1a C 21.0935 -25.7686
19 C1b C 27.0929 -22.4202
20 C1c C 28.2788 -23.1178
21 C1b C 29.4647 -22.4202
22 N1b N 30.6506 -23.1178
23 C1d C 31.8365 -22.4202
24 C1a C 33.0922 -23.1178
25 C1a C 31.8365 -21.0250
26 C1a C 33.0922 -21.6528
27 C7a C 28.9764 -25.7686
28 O6a O 28.2788 -26.9545
29 C8y C 30.3715 -25.7686
30 C8x C 31.0691 -26.9545
31 C8x C 32.4643 -26.9545
32 C8x C 31.0691 -24.5130
33 C8x C 32.4643 -24.5130
34 C8x C 33.1619 -25.7686
35 O7a O 28.2788 -24.5130
BOND 36
1 1 2 1
2 1 3 1
3 2 4 1
4 2 5 2
5 3 6 1
6 3 7 2
7 9 10 2
8 10 11 1
9 11 12 2
10 12 14 1
11 13 9 1
12 8 9 1
13 13 14 2
14 14 15 1
15 15 16 1
16 16 17 2
17 17 13 1
18 16 18 1
19 8 19 1
20 19 20 1
21 23 24 1
22 23 25 1
23 23 26 1
24 20 21 1
25 21 22 1
26 22 23 1
27 27 28 2
28 27 29 1
29 29 30 1
30 30 31 2
31 29 32 2
32 32 33 1
33 33 34 2
34 34 31 1
35 27 35 1
36 20 35 1
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