| Entry |
|
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| Name |
Methysergide maleate (USP);
Sansert (TN) |
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| Formula |
C21H27N3O2. C4H4O4
|
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| Exact mass |
469.2213
|
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| Mol weight |
469.5301
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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
D00681 Methysergide maleate (USP)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01483 5-HT1A-receptor agonist
DG00835 Methysergide
D00681 Methysergide maleate
DG01964 Ergot alkaloid
DG01982 Antimigraine, ergot alkaloid
DG00835 Methysergide
D00681 Methysergide maleate
Analgesic
DG01484 5-HT1B-receptor agonist
DG00835 Methysergide
D00681 Methysergide maleate
DG01485 5-HT1D-receptor agonist
DG00835 Methysergide
D00681 Methysergide maleate
DG01518 5-HT1B/1D-receptor agonist
DG00835 Methysergide
D00681 Methysergide maleate
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Serotonin
HTR1A
D00681 Methysergide maleate (USP)
HTR2
D00681 Methysergide maleate (USP)
HTR7
D00681 Methysergide maleate (USP)
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 34
1 C8y C 17.0483 -18.4347
2 C8y C 17.0657 -17.0805
3 C8y C 18.2332 -19.1234
4 C8y C 15.8574 -19.1234
5 C2y C 18.2564 -16.4034
6 C8x C 15.8808 -16.3974
7 C1x C 19.4298 -18.4580
8 C8x C 18.2332 -20.4951
9 N4y N 15.8574 -20.4951
10 C8x C 14.6959 -18.4463
11 C1y C 19.4298 -17.0921
12 C2x C 18.2682 -15.0375
13 C8x C 14.6959 -17.0805
14 C1a C 14.8711 -21.4816
15 N1y N 20.6205 -16.4208
16 C1y C 19.4472 -14.3661
17 C1x C 20.6322 -15.0549
18 C1a C 21.7937 -17.1038
19 C5a C 19.4413 -12.9886
20 N1b N 20.6264 -12.3057
21 O5a O 18.2564 -12.3057
22 C1c C 21.8054 -12.9828
23 C1b C 22.9903 -12.3000
24 C1b C 21.7997 -14.3487
25 C1a C 24.1753 -12.9771
26 O1a O 22.9846 -15.0375
27 C2b C 29.1076 -15.5279
28 C2b C 27.4733 -15.5336
29 C6a C 29.7905 -16.7011
30 C6a C 26.8019 -16.7128
31 O6a O 29.1134 -17.8744
32 O6a O 31.1507 -16.7594
33 O6a O 25.4360 -16.7128
34 O6a O 27.4849 -17.8860
BOND 36
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
30 27 28 2
31 27 29 1
32 28 30 1
33 29 31 1
34 29 32 2
35 30 33 1
36 30 34 2
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