Entry |
|
Name |
Lergotrile mesylate (USAN) |
Formula |
C17H18ClN3. CH4SO3
|
Exact mass |
395.1070
|
Mol weight |
395.90
|
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
D04694 Lergotrile mesylate
DG01964 Ergot alkaloid
DG01319 Lergotrile
D04694 Lergotrile mesylate
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Dopamine
DRD2
D04694 Lergotrile mesylate (USAN)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01472 Dopamine agonist
DG01468 Dopamine D2-receptor agonist
DG01319 Lergotrile
DG01964 Ergot alkaloid
DG01319 Lergotrile
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 26
1 C8x C 34.4150 -26.1239
2 C8x C 34.4150 -27.5066
3 C8y C 35.6124 -28.1979
4 C8y C 36.8099 -27.5066
5 C8y C 36.8099 -26.1239
6 C8x C 35.6124 -25.4325
7 C8y C 38.0074 -28.1979
8 C1x C 39.2048 -27.5066
9 C1y C 39.2048 -26.1239
10 C1y C 38.0074 -25.4325
11 N1y N 40.4024 -25.4325
12 C1x C 40.4024 -24.0498
13 C1y C 39.2048 -23.3585
14 C1x C 38.0074 -24.0498
15 N4x N 36.1374 -29.6950
16 C8y C 37.5125 -29.6887
17 C1a C 41.6203 -26.1359
18 C1b C 39.2048 -21.9758
19 C3b C 40.3877 -21.2929
20 N3a N 41.5852 -20.6015
21 X Cl 38.3434 -30.8343
22 O1d O 47.4810 -25.0302
23 S4a S 47.4810 -26.4282
24 C1a C 46.0832 -26.4282
25 O1d O 48.8789 -26.4282
26 O1d O 47.4810 -27.8259
BOND 28
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
25 22 23 2
26 23 24 1
27 23 25 1
28 23 26 2
|