| Entry |
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| Name |
Nebivolol hydrochloride (USAN);
Bystolic (TN)
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| Product |
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| Formula |
C22H25F2NO4. HCl
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| Exact mass |
441.1518
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| Mol weight |
441.8959
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| Structure |
     |
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| Activity |
Highly selective b1 antagonist with non-adrenergic vasodilating properties due to the release of nitric oxide from vascular endothelium, studied in the treatment of hypertension, congestive heart failure and other cardiovascular events
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| Remark |
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| Target |
beta1-adrenergic receptor antagonist [HSA: 153] [KO: K04141] |
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| Pathway |
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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
C07AB Beta blocking agents, selective
C07AB12 Nebivolol
D06622 Nebivolol hydrochloride (USAN)
USP drug classification [BR:br08302]
Cardiovascular Agents
Beta-adrenergic Blocking Agents
Nebivolol
D06622 Nebivolol hydrochloride (USAN)
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
beta1-adrenergic receptor [HSA:153] [KO:K04141]
Nebivolol [ATC:C07AB12]
D06622 Nebivolol hydrochloride (USAN)
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| Other DBs |
CAS: 152520-56-4 PubChem: LigandBox: |
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| KCF data |
ATOM 30
1 C8x C 32.3644 -28.3175
2 C8y C 32.3644 -29.7204
3 C8x C 33.5792 -30.4219
4 C8y C 34.7943 -29.7204
5 C8y C 34.7943 -28.3175
6 C8x C 33.5792 -27.6160
7 C1x C 36.0092 -30.4219
8 C1x C 37.2242 -29.7204
9 C1y C 37.2242 -28.3175
10 O2x O 36.0092 -27.6160
11 C1c C 38.4243 -27.6245
12 X F 31.1494 -30.4219
13 C1b C 39.6151 -28.3119
14 O1a O 38.4244 -26.2133
15 N1b N 40.8084 -27.6229
16 C1b C 42.0005 -28.3111
17 C1c C 43.1931 -27.6225
18 C1y C 44.3857 -28.3109
19 O1a O 43.1932 -26.2132
20 C1x C 44.3858 -29.7202
21 C1x C 45.6008 -30.4215
22 C8y C 46.8157 -29.7199
23 C8y C 46.8155 -28.3107
24 O2x O 45.6005 -27.6094
25 C8x C 48.0307 -30.4213
26 C8y C 49.2456 -29.7197
27 C8x C 49.2455 -28.3105
28 C8x C 48.0305 -27.6092
29 X F 50.4789 -30.4318
30 X Cl 52.5699 -28.1400
BOND 32
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 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 2 12 1
14 11 13 1
15 11 14 1 #Up
16 13 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 17 19 1 #Down
21 18 20 1
22 20 21 1
23 21 22 1
24 22 23 1
25 23 24 1
26 18 24 1
27 22 25 2
28 25 26 1
29 26 27 2
30 27 28 1
31 23 28 2
32 26 29 1
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