| Entry |
|
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| Name |
Propranolol (INN);
Propranolol (TN)
|
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| Formula |
C16H21NO2
|
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| Exact mass |
259.1572
|
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| Mol weight |
259.3434
|
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| Structure |
     |
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| Activity |
beta-Adrenergic blocking
|
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| Remark |
|
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| Comment |
Class II antiarrhythmic agent
|
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| Target |
beta1-adrenergic receptor antagonist [HSA: 153] [KO: K04141]; beta2-adrenergic receptor antagonist [HSA: 154] [KO: K04142]; beta3-adrenergic receptor antagonist [HSA: 155] [KO: K04143] |
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| Pathway |
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| Metabolism |
Enzyme: CYP1A2 [HSA: 1544], CYP2C19 [HSA: 1557], CYP2D6 [HSA: 1565], CYP3A4 [HSA: 1576], CYP3A5 [HSA: 1577], CYP3A7 [HSA: 1551]
|
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| Interaction |
Genomic biomarker: CYP2D6 [HSA: 1565]
CYP inhibition: CYP1A2 [HSA: 1544]
 |
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| Structure map |
| Antiarrhythmic drugs | | Antimigraines | | Naphthalene family | | 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
C07AA Beta blocking agents, non-selective
C07AA05 Propranolol
D08443 Propranolol (INN)
USP drug classification [BR:br08302]
Cardiovascular Agents
Beta-adrenergic Blocking Agents
Propranolol
D08443 Propranolol (INN)
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
beta1-adrenergic receptor [HSA:153] [KO:K04141]
Propranolol [ATC:C07AA05]
D08443 Propranolol (INN)
beta2-adrenergic receptor [HSA:154] [KO:K04142]
Propranolol [ATC:C07AA05]
D08443 Propranolol (INN)
beta3-adrenergic receptor [HSA:155] [KO:K04143]
Propranolol [ATC:C07AA05]
D08443 Propranolol (INN)
 |
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| Other DBs |
CAS: 525-66-6 PubChem: DrugBank: LigandBox: NIKKAJI: |
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| KCF data |
ATOM 19
1 C8y C 21.0700 -18.9700
2 C8y C 22.3300 -18.2700
3 C8y C 21.0700 -20.3700
4 C8x C 19.8800 -18.2700
5 O2a O 22.3300 -16.8700
6 C8x C 23.5200 -18.9700
7 C8x C 22.2600 -21.0700
8 C8x C 19.8800 -21.0700
9 C8x C 18.6900 -18.9700
10 C1b C 23.5200 -16.1700
11 C8x C 23.5200 -20.3700
12 C8x C 18.6900 -20.3700
13 C1c C 24.7100 -16.8700
14 C1b C 25.9700 -16.1700
15 O1a O 24.7100 -18.2700
16 N1b N 27.1600 -16.8700
17 C1c C 28.3500 -16.1700
18 C1a C 29.6100 -16.8700
19 C1a C 28.3500 -14.7700
BOND 20
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1
10 6 11 1
11 8 12 2
12 10 13 1
13 13 14 1
14 13 15 1
15 14 16 1
16 16 17 1
17 17 18 1
18 17 19 1
19 7 11 2
20 9 12 1
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