| Entry |
|
|---|
| Name |
Sarizotan hydrochloride (USAN);
EMD 128130 |
|---|
| Formula |
C22H21FN2O. HCl
|
|---|
| Exact mass |
384.1405
|
|---|
| Mol weight |
384.8743
|
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| Structure |
|
|---|
| Class |
Neuropsychiatric agent
DG01483 5-HT1A-receptor agonist
|
|---|
| Efficacy |
Antiparkinsonian |
|---|
| Comment |
Treatment-associated dyskinesia in Parkinson's disease
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01483 5-HT1A-receptor agonist
D05804 Sarizotan hydrochloride
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Dopamine
DRD2
D05804 Sarizotan hydrochloride (USAN)
Serotonin
HTR1A
D05804 Sarizotan hydrochloride (USAN)
|
|---|
| Other DBs |
|
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| LinkDB |
|
|---|
| KCF data |
ATOM 27
1 C8x C 11.2000 -16.6600
2 C8x C 11.2000 -18.0600
3 C8x C 12.4124 -18.7600
4 C8y C 13.6249 -18.0600
5 C8y C 13.6249 -16.6600
6 C8x C 12.4124 -15.9600
7 C1x C 14.8373 -18.7600
8 C1x C 16.0497 -18.0600
9 C1y C 16.0497 -16.6600
10 O2x O 14.8373 -15.9600
11 C1b C 17.2473 -15.9685
12 N1b N 18.4356 -16.6545
13 C1b C 19.6264 -15.9669
14 C8y C 20.8160 -16.6537
15 C8x C 20.8162 -18.0598
16 C8y C 22.0286 -18.7597
17 C8x C 23.2410 -18.0596
18 N5x N 23.2409 -16.6535
19 C8x C 22.0284 -15.9536
20 C8y C 22.0288 -20.1598
21 C8x C 20.8323 -20.8509
22 C8x C 20.8326 -22.2509
23 C8y C 22.0452 -22.9507
24 C8x C 23.2416 -22.2596
25 C8x C 23.2413 -20.8596
26 X F 22.0454 -24.3600
27 X Cl 25.9700 -22.0500
BOND 29
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 9 11 1 #Up
13 11 12 1
14 12 13 1
15 13 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 17 18 1
20 18 19 2
21 14 19 1
22 16 20 1
23 20 21 2
24 21 22 1
25 22 23 2
26 23 24 1
27 24 25 2
28 20 25 1
29 23 26 1
|
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