| Entry |
|
|---|
| Name |
Lergotrile (USAN/INN) |
|---|
| Formula |
C17H18ClN3
|
|---|
| Exact mass |
299.1189
|
|---|
| Mol weight |
299.80
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Neuropsychiatric agent
DG01472 Dopamine agonist
DG01468 Dopamine D2-receptor agonist
DG01964 Ergot alkaloid
|
|---|
| Remark |
|
|---|
| Efficacy |
Antiparkinsonian, Dopamine receptor agonist |
|---|
| Comment |
Ergot alkaloid
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01472 Dopamine agonist
DG01468 Dopamine D2-receptor agonist
DG01319 Lergotrile
D04693 Lergotrile
DG01964 Ergot alkaloid
DG01319 Lergotrile
D04693 Lergotrile
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Dopamine
DRD2
D04693 Lergotrile (USAN/INN)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01472 Dopamine agonist
DG01468 Dopamine D2-receptor agonist
DG01319 Lergotrile
DG01964 Ergot alkaloid
DG01319 Lergotrile
|
|---|
| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 21
1 C8x C 38.0542 -26.1219
2 C8x C 38.0542 -27.5042
3 C8y C 39.2513 -28.1954
4 C8y C 40.4485 -27.5042
5 C8y C 40.4485 -26.1219
6 C8x C 39.2513 -25.4307
7 C8y C 41.6457 -28.1954
8 C1x C 42.8428 -27.5042
9 C1y C 42.8428 -26.1219
10 C1y C 41.6457 -25.4307
11 N1y N 44.0400 -25.4307
12 C1x C 44.0400 -24.0483
13 C1y C 42.8428 -23.3572
14 C1x C 41.6457 -24.0483
15 N4x N 39.7761 -29.6921
16 C8y C 41.1509 -29.6858
17 C1a C 45.2576 -26.1339
18 C1b C 42.8428 -21.9749
19 C3b C 44.0254 -21.2921
20 N3a N 45.2225 -20.6009
21 X Cl 41.9816 -30.8311
BOND 24
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
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 3 15 1
18 15 16 1
19 7 16 2
20 11 17 1
21 13 18 1 #Up
22 18 19 1
23 19 20 3
24 16 21 1
|
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