| Entry |
|
|---|
| Name |
Dexpramipexole dihydrochloride (USAN) |
|---|
| Formula |
C10H17N3S. 2HCl. H2O
|
|---|
| Exact mass |
301.0782
|
|---|
| Mol weight |
302.26
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Dopamine receptor agonist |
|---|
| Comment |
R(+) enantiomer of Pramipexole [DR: D05575]
Treatment of amyotrophic lateral sclerosis (ALS)
|
|---|
| Target |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Dopamine
DRD
D09887 Dexpramipexole dihydrochloride (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 17
1 C1y C 27.0900 -28.2100
2 C1x C 27.0900 -29.6800
3 C1x C 28.3500 -30.3800
4 C8y C 29.5400 -29.6800
5 C8y C 29.5400 -28.2100
6 C1x C 28.3500 -27.5100
7 N5x N 30.8700 -30.1000
8 C8y C 31.7100 -28.9800
9 S2x S 30.8700 -27.7900
10 N1a N 33.1100 -28.9800
11 N1b N 25.9000 -27.5100
12 C1b C 24.7100 -28.2100
13 C1b C 23.5200 -27.5100
14 C1a C 22.3300 -28.2100
15 X Cl 23.1000 -32.2700
16 O0 O 27.5100 -32.2000
17 X Cl 23.1000 -32.2700
BOND 15
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 2
9 8 9 1
10 5 9 1
11 8 10 1
12 1 11 1 #Up
13 11 12 1
14 12 13 1
15 13 14 1
BRACKET 1 21.8400 -32.7600 21.8400 -31.6400
1 23.8000 -31.6400 23.8000 -32.7600
1 2
ORIGINAL 1 15
REPEAT 1 17
|
|---|
