| Entry |
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| Name |
Methysergide (USAN/INN) |
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| Formula |
C21H27N3O2
|
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| Exact mass |
353.2103
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| Mol weight |
353.458
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| Structure |
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| Simcomp |
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| Class |
Neuropsychiatric agent
DG01483 5-HT1A-receptor agonist
DG01964 Ergot alkaloid
DG01982 Antimigraine, ergot alkaloid
Analgesic
DG01484 5-HT1B-receptor agonist
DG01485 5-HT1D-receptor agonist
DG01518 5-HT1B/1D-receptor agonist
|
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| Remark |
|
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| Efficacy |
Antimigraine, Vasoconstrictor, Serotonin receptor agonist/antagonist |
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| Comment |
Ergot alkaloid
|
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| Target |
|
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| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
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| Interaction |
|
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| Structure map |
| map07211 | Serotonin receptor agonists/antagonists |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
N NERVOUS SYSTEM
N02 ANALGESICS
N02C ANTIMIGRAINE PREPARATIONS
N02CA Ergot alkaloids
N02CA04 Methysergide
D02357 Methysergide (USAN/INN)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01483 5-HT1A-receptor agonist
DG00835 Methysergide
D02357 Methysergide
DG01964 Ergot alkaloid
DG01982 Antimigraine, ergot alkaloid
DG00835 Methysergide
D02357 Methysergide
Analgesic
DG01484 5-HT1B-receptor agonist
DG00835 Methysergide
D02357 Methysergide
DG01485 5-HT1D-receptor agonist
DG00835 Methysergide
D02357 Methysergide
DG01518 5-HT1B/1D-receptor agonist
DG00835 Methysergide
D02357 Methysergide
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Serotonin
HTR1A
D02357 Methysergide (USAN/INN)
HTR2
D02357 Methysergide (USAN/INN)
HTR7
D02357 Methysergide (USAN/INN)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01483 5-HT1A-receptor agonist
DG00835 Methysergide
DG01964 Ergot alkaloid
DG01982 Antimigraine, ergot alkaloid
DG00835 Methysergide
Analgesic
DG01484 5-HT1B-receptor agonist
DG00835 Methysergide
DG01485 5-HT1D-receptor agonist
DG00835 Methysergide
DG01518 5-HT1B/1D-receptor agonist
DG00835 Methysergide
|
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| Other DBs |
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| KCF data |
ATOM 26
1 C8y C 20.5978 -18.4180
2 C8y C 20.5686 -17.0663
3 C8y C 21.7339 -19.1056
4 C8y C 19.3624 -19.1056
5 C2y C 21.6871 -16.3904
6 C8x C 19.3857 -16.3845
7 C1x C 22.9284 -18.4414
8 C8x C 21.7339 -20.4747
9 N4y N 19.3624 -20.4747
10 C8x C 18.2030 -18.4297
11 C1y C 22.9284 -17.0780
12 C2x C 21.6990 -15.0269
13 C8x C 18.2030 -17.0663
14 C1a C 18.3779 -21.4595
15 N1y N 24.1169 -16.4078
16 C1y C 22.9457 -14.3568
17 C1x C 24.1286 -15.0443
18 C1a C 25.2880 -17.0896
19 C5a C 22.9398 -12.9817
20 N1b N 24.1228 -12.3001
21 O5a O 21.7571 -12.3001
22 C1c C 25.2997 -12.9760
23 C1b C 26.4824 -12.2944
24 C1b C 25.2940 -14.3393
25 C1a C 27.6653 -12.9703
26 O1a O 26.4767 -15.0269
BOND 29
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 2
8 4 9 1
9 4 10 1
10 5 11 1
11 5 12 2
12 6 13 1
13 9 14 1
14 11 15 1
15 12 16 1
16 15 17 1
17 15 18 1
18 16 19 1 #Up
19 19 20 1
20 19 21 2
21 20 22 1
22 22 23 1
23 22 24 1 #Up
24 23 25 1
25 24 26 1
26 7 11 1
27 8 9 1
28 10 13 2
29 16 17 1
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