| Entry |
|
|---|
| Name |
Guanfacine (INN);
Estulic (TN) |
|---|
| Formula |
C9H9Cl2N3O
|
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| Exact mass |
245.0123
|
|---|
| Mol weight |
246.0933
|
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| Structure |
|
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| Simcomp |
|
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| Class |
Cardiovascular agent
DG01738 Centrally-acting antiadrenergic
DG01456 Adrenergic receptor agonist
DG01450 alpha-Adrenergic receptor agonist
DG01449 alpha2-Adrenergic receptor agonist
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG02925 CYP3A5 substrate
|
|---|
| Remark |
| Product (DG00250): | D00606<JP/US> |
|
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| Efficacy |
Antihypertensive, alpha2-Adrenergic receptor agonist |
|---|
| Comment |
Guanidine derivative
|
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| Target |
|
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| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Metabolism |
Enzyme: CYP3A4 [HSA: 1576], CYP3A5 [HSA: 1577]
|
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| Interaction |
|
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| Structure map |
| map07215 | alpha-Adrenergic receptor agonists/antagonists |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C02 ANTIHYPERTENSIVES
C02A ANTIADRENERGIC AGENTS, CENTRALLY ACTING
C02AC Imidazoline receptor agonists
C02AC02 Guanfacine
D08031 Guanfacine (INN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01738 Centrally-acting antiadrenergic
DG00250 Guanfacine
D08031 Guanfacine
DG01456 Adrenergic receptor agonist
DG01450 alpha-Adrenergic receptor agonist
DG01449 alpha2-Adrenergic receptor agonist
DG00250 Guanfacine
D08031 Guanfacine
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00250 Guanfacine
D08031 Guanfacine
DG02925 CYP3A5 substrate
DG00250 Guanfacine
D08031 Guanfacine
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRA2A
D08031 Guanfacine (INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D08031
Drug groups [BR:br08330]
Cardiovascular agent
DG01738 Centrally-acting antiadrenergic
DG00250 Guanfacine
DG01456 Adrenergic receptor agonist
DG01450 alpha-Adrenergic receptor agonist
DG01449 alpha2-Adrenergic receptor agonist
DG00250 Guanfacine
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00250 Guanfacine
DG02925 CYP3A5 substrate
DG00250 Guanfacine
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 15
1 C8y C 25.9700 -17.9200
2 C1b C 24.7800 -17.2200
3 C8y C 25.9700 -19.3200
4 C8y C 27.2300 -17.2200
5 C5a C 23.5900 -17.9200
6 C8x C 27.2300 -20.0200
7 X Cl 24.7800 -20.0200
8 C8x C 28.4200 -17.9200
9 X Cl 27.2300 -15.8200
10 N1b N 22.3300 -17.2200
11 O5a O 23.5900 -19.3200
12 C8x C 28.4200 -19.3200
13 C2c C 21.1400 -17.9200
14 N1a N 19.9500 -17.2200
15 N2a N 21.1400 -19.3200
BOND 15
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 3 6 1
6 3 7 1
7 4 8 2
8 4 9 1
9 5 10 1
10 5 11 2
11 6 12 2
12 10 13 1
13 13 14 1
14 13 15 2
15 8 12 1
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