| Entry |
|
|---|
| Name |
Quinelorane hydrochloride (USAN) |
|---|
| Formula |
C14H22N4. 2HCl
|
|---|
| Exact mass |
318.1378
|
|---|
| Mol weight |
319.2732
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Neuropsychiatric agent
DG01472 Dopamine agonist
DG01468 Dopamine D2-receptor agonist
|
|---|
| Efficacy |
Antihypertensive, Antiparkinsonian |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01472 Dopamine agonist
DG01468 Dopamine D2-receptor agonist
D05677 Quinelorane hydrochloride
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Dopamine
DRD2
D05677 Quinelorane hydrochloride (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 20
1 N5x N 18.2700 -21.2800
2 C8y C 18.2700 -19.8800
3 N5x N 17.0800 -19.1800
4 C8y C 15.8200 -19.8800
5 C8y C 15.8200 -21.2800
6 C8x C 17.0800 -21.9800
7 C1x C 14.6300 -19.1800
8 C1y C 13.4400 -19.8800
9 C1y C 13.4400 -21.2800
10 C1x C 14.6300 -21.9800
11 C1x C 12.1800 -19.1800
12 C1x C 10.9900 -19.8800
13 C1x C 10.9900 -21.2800
14 N1y N 12.1800 -21.9800
15 N1a N 19.4853 -19.1849
16 C1b C 12.1628 -23.3799
17 C1b C 13.3792 -24.1024
18 C1a C 13.3620 -25.4800
19 X Cl 20.6500 -23.5900
20 X Cl 20.6500 -23.5900
BOND 20
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 8 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 9 14 1
17 2 15 1
18 14 16 1
19 16 17 1
20 17 18 1
BRACKET 1 18.9700 -24.4300 18.9700 -22.7500
1 21.5600 -22.7500 21.5600 -24.4300
1 2
ORIGINAL 1 21
REPEAT 1 22
|
|---|
