| Entry |
|
|---|
| Name |
Phentolamine (INN) |
|---|
| Formula |
C17H19N3O
|
|---|
| Exact mass |
281.1528
|
|---|
| Mol weight |
281.3523
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Cardiovascular agent
DG01466 Adrenergic receptor antagonist
DG01465 alpha-Adrenergic receptor antagonist
DG03231 Antihypertensive
|
|---|
| Remark |
| Product (DG00280): | D00509<JP/US> |
|
|---|
| Efficacy |
Vasodilator, alpha-Adrenergic receptor antagonist |
|---|
| Comment |
Imidazoline derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04261 | Adrenergic signaling in cardiomyocytes |
| hsa04270 | Vascular smooth muscle contraction |
|
|---|
| Interaction |
|
|---|
| Structure map |
| map07215 | alpha-Adrenergic receptor agonists/antagonists |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C04 PERIPHERAL VASODILATORS
C04A PERIPHERAL VASODILATORS
C04AB Imidazoline derivatives
C04AB01 Phentolamine
D08362 Phentolamine (INN)
V VARIOUS
V03 ALL OTHER THERAPEUTIC PRODUCTS
V03A ALL OTHER THERAPEUTIC PRODUCTS
V03AB Antidotes
V03AB36 Phentolamine
D08362 Phentolamine (INN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01466 Adrenergic receptor antagonist
DG01465 alpha-Adrenergic receptor antagonist
DG00280 Phentolamine
D08362 Phentolamine
DG03231 Antihypertensive
DG00280 Phentolamine
D08362 Phentolamine
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRA1
D08362 Phentolamine (INN)
ADRA2
D08362 Phentolamine (INN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01466 Adrenergic receptor antagonist
DG01465 alpha-Adrenergic receptor antagonist
DG00280 Phentolamine
DG03231 Antihypertensive
DG00280 Phentolamine
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 21
1 N1c N 24.1500 -18.4800
2 C8y C 25.4100 -19.1800
3 C8y C 22.9600 -19.1800
4 C1b C 24.1500 -17.0800
5 C8x C 26.6000 -18.4800
6 C8x C 25.4100 -20.5800
7 C8x C 22.9600 -20.5800
8 C8x C 21.7700 -18.4800
9 C2y C 25.4100 -16.3800
10 C8y C 27.7900 -19.1800
11 C8x C 26.6000 -21.2800
12 C8x C 21.7700 -21.2800
13 C8x C 20.5100 -19.1800
14 N1x N 26.7400 -16.8000
15 N2x N 25.4100 -14.9800
16 C8x C 27.7900 -20.5800
17 O1a O 29.0500 -18.4800
18 C8y C 20.5100 -20.5800
19 C1x C 27.5800 -15.7500
20 C1x C 26.8100 -14.5600
21 C1a C 19.3200 -21.2800
BOND 23
1 2 5 1
2 2 6 2
3 3 7 1
4 3 8 2
5 4 9 1
6 5 10 2
7 6 11 1
8 7 12 2
9 8 13 1
10 9 14 1
11 9 15 2
12 10 16 1
13 10 17 1
14 12 18 1
15 14 19 1
16 15 20 1
17 18 21 1
18 11 16 2
19 13 18 2
20 19 20 1
21 1 2 1
22 1 3 1
23 1 4 1
|
|---|
