Entry |
|
Name |
Dihydroergotamine mesylate (USP); Dihydroergotamine mesilate (JP18); Migranal (TN); Trudhesa (TN) |
Product |
|
Generic |
|
Formula |
C33H37N5O5. CH4SO3
|
Exact mass |
679.2676
|
Mol weight |
679.78
|
Structure |
|
Simcomp |
|
Class |
Neuropsychiatric agent
DG01472 Dopamine agonist
DG01468 Dopamine D2-receptor agonist
DG01964 Ergot alkaloid
DG01982 Antimigraine, ergot alkaloid
Analgesic
DG01518 5-HT1B/1D-receptor agonist
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
|
Remark |
Product (DG00833): | D02211<US> |
|
Efficacy |
Antimigraine, Vasoconstrictor, Serotonin receptor agonist |
Comment |
Ergot alkaloid
Acute treatment of migraine headaches with or without aura
|
Target |
|
Pathway |
hsa04080 | Neuroactive ligand-receptor interaction |
|
Metabolism |
Enzyme: CYP3A4 [HSA: 1576]
|
Interaction |
|
Structure map |
|
Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
N NERVOUS SYSTEM
N02 ANALGESICS
N02C ANTIMIGRAINE PREPARATIONS
N02CA Ergot alkaloids
N02CA01 Dihydroergotamine
D02211 Dihydroergotamine mesylate (USP) <US>
USP drug classification [BR:br08302]
Antimigraine Agents
Ergot Alkaloids
Dihydroergotamine
D02211 Dihydroergotamine mesylate (USP)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01472 Dopamine agonist
DG01468 Dopamine D2-receptor agonist
DG00833 Dihydroergotamine
D02211 Dihydroergotamine mesylate
DG01964 Ergot alkaloid
DG01982 Antimigraine, ergot alkaloid
DG00833 Dihydroergotamine
D02211 Dihydroergotamine mesylate
Analgesic
DG01518 5-HT1B/1D-receptor agonist
DG00833 Dihydroergotamine
D02211 Dihydroergotamine mesylate
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00833 Dihydroergotamine
D02211 Dihydroergotamine mesylate
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Serotonin
HTR1B
D02211 Dihydroergotamine mesylate (USP) <US>
HTR1D
D02211 Dihydroergotamine mesylate (USP) <US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
Chemicals
D02211 Dihydroergotamine mesilate
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D02211
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01472 Dopamine agonist
DG01468 Dopamine D2-receptor agonist
DG00833 Dihydroergotamine
DG01964 Ergot alkaloid
DG01982 Antimigraine, ergot alkaloid
DG00833 Dihydroergotamine
Analgesic
DG01518 5-HT1B/1D-receptor agonist
DG00833 Dihydroergotamine
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00833 Dihydroergotamine
|
Other DBs |
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LinkDB |
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KCF data |
ATOM 48
1 C1z C 21.8848 -14.3760
2 N1y N 21.8849 -15.6808
3 C1y C 23.0033 -13.6769
4 O2x O 20.7198 -13.6769
5 O1a O 21.8382 -13.0246
6 C1y C 23.0033 -16.3333
7 C5x C 19.5548 -15.6808
8 N1y N 24.1684 -14.3760
9 C1x C 23.0033 -12.3721
10 C1z C 19.5548 -14.3760
11 C5x C 24.1684 -15.6808
12 C1b C 23.0033 -17.6847
13 O5x O 18.6227 -16.6129
14 C1x C 25.2868 -13.7235
15 C1x C 25.2868 -12.3721
16 N1b N 17.8771 -13.6304
17 C1a C 19.5548 -12.9313
18 O5x O 25.2868 -16.3799
19 C8y C 24.1218 -18.3372
20 C5a C 16.3859 -14.3294
21 C8x C 24.1218 -19.6420
22 C8x C 25.2868 -17.6847
23 C1y C 16.3859 -15.6808
24 O5a O 15.2207 -13.6769
25 C8x C 25.2402 -20.2944
26 C8x C 26.4052 -18.3372
27 C1x C 15.2207 -16.3333
28 C1x C 17.5509 -16.3333
29 C8x C 26.4052 -19.6420
30 C1y C 15.2207 -17.6381
31 N1y N 17.5509 -17.6381
32 C8y C 14.1023 -18.2906
33 C1y C 16.3859 -18.3372
34 C1a C 18.6693 -18.3372
35 C8y C 14.1023 -19.6420
36 C8x C 12.9373 -17.6381
37 C1x C 16.3859 -19.6420
38 C8y C 15.2207 -20.2944
39 C8y C 12.9373 -20.2944
40 C8x C 11.8189 -18.2906
41 C8x C 15.2207 -21.5993
42 N4x N 12.9373 -21.5993
43 C8x C 11.8189 -19.6420
44 S4a S 30.3778 -16.8923
45 C1a C 28.9779 -16.8923
46 O1d O 31.7777 -16.8923
47 O1d O 30.3778 -15.4924
48 O1d O 30.3778 -18.2923
BOND 54
1 1 5 1 #Down
2 2 6 1
3 2 7 1
4 3 8 1
5 3 9 1
6 4 10 1
7 6 11 1
8 6 12 1 #Down
9 7 13 2
10 8 14 1
11 9 15 1
12 10 16 1
13 10 17 1 #Up
14 11 18 2
15 12 19 1
16 16 20 1
17 19 21 2
18 19 22 1
19 23 20 1 #Up
20 20 24 2
21 21 25 1
22 22 26 2
23 23 27 1
24 23 28 1
25 25 29 2
26 27 30 1
27 28 31 1
28 30 32 1
29 30 33 1
30 31 34 1
31 32 35 1
32 32 36 2
33 33 37 1
34 35 38 1
35 35 39 2
36 36 40 1
37 38 41 2
38 39 42 1
39 39 43 1
40 7 10 1
41 8 11 1
42 14 15 1
43 26 29 1
44 31 33 1
45 37 38 1
46 40 43 2
47 41 42 1
48 1 2 1
49 1 3 1
50 1 4 1
51 44 45 1
52 44 46 1
53 44 47 2
54 44 48 2
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