| Entry |
|
|---|
| Name |
Eletriptan hydrobromide monohydrate |
|---|
| Formula |
C22H26N2O2S. HBr. H2O
|
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| Exact mass |
480.1082
|
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| Mol weight |
481.45
|
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| Structure |
|
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| Class |
Analgesic
DG01484 5-HT1B-receptor agonist
DG01485 5-HT1D-receptor agonist
DG01518 5-HT1B/1D-receptor agonist
DG01943 Triptan
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
|
|---|
| Remark |
| Product (DG00840): | D01973<JP/US> |
|
|---|
| Efficacy |
Antimigraine, Vasoconstrictor, Serotonin receptor agonist |
|---|
| Comment |
Acute treatment of migraine
|
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| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
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| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]
|
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| Interaction |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
N NERVOUS SYSTEM
N02 ANALGESICS
N02C ANTIMIGRAINE PREPARATIONS
N02CC Selective serotonin (5HT1) agonists
N02CC06 Eletriptan
D11617 Eletriptan hydrobromide monohydrate
Drug groups [BR:br08330]
Analgesic
DG01484 5-HT1B-receptor agonist
DG00840 Eletriptan
D11617 Eletriptan hydrobromide monohydrate
DG01485 5-HT1D-receptor agonist
DG00840 Eletriptan
D11617 Eletriptan hydrobromide monohydrate
DG01518 5-HT1B/1D-receptor agonist
DG00840 Eletriptan
D11617 Eletriptan hydrobromide monohydrate
DG01943 Triptan
DG00840 Eletriptan
D11617 Eletriptan hydrobromide monohydrate
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00840 Eletriptan
D11617 Eletriptan hydrobromide monohydrate
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Serotonin
HTR1B
D11617 Eletriptan hydrobromide monohydrate
HTR1D
D11617 Eletriptan hydrobromide monohydrate
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D11617
Drug groups [BR:br08330]
Analgesic
DG01484 5-HT1B-receptor agonist
DG00840 Eletriptan
DG01485 5-HT1D-receptor agonist
DG00840 Eletriptan
DG01518 5-HT1B/1D-receptor agonist
DG00840 Eletriptan
DG01943 Triptan
DG00840 Eletriptan
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00840 Eletriptan
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 29
1 X Br 25.8908 -18.1727
2 C1y C 23.6456 -14.9450
3 N1y N 23.6456 -13.5417
4 C1a C 22.3826 -12.8401
5 C1x C 24.9787 -15.3660
6 C1x C 25.7505 -14.2434
7 C1x C 24.9787 -13.1207
8 C8x C 18.5937 -18.8742
9 C8y C 18.5937 -17.4709
10 C8x C 19.8567 -16.7693
11 C8y C 21.0495 -17.4709
12 C8y C 21.0495 -18.8742
13 C8x C 19.8567 -19.5759
14 C8y C 22.3826 -17.0499
15 C8x C 23.2246 -18.1726
16 N4x N 22.3826 -19.2952
17 C1b C 17.4009 -16.7693
18 C1b C 16.2081 -17.4709
19 S4a S 15.0153 -16.7693
20 C8y C 13.7524 -17.4709
21 C8x C 13.7524 -18.8742
22 C8x C 12.5596 -19.5759
23 C8x C 11.3668 -18.8742
24 C8x C 11.3668 -17.4709
25 C8x C 12.5596 -16.7693
26 C1b C 22.3826 -15.6467
27 O3c O 15.9976 -15.7870
28 O3c O 14.0330 -15.7870
29 O0 O 26.4600 -19.7400
BOND 30
1 2 3 1
2 3 4 1
3 2 5 1
4 5 6 1
5 6 7 1
6 3 7 1
7 8 9 2
8 9 10 1
9 10 11 2
10 11 12 1
11 12 13 2
12 8 13 1
13 11 14 1
14 14 15 2
15 15 16 1
16 12 16 1
17 9 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 20 21 2
22 21 22 1
23 22 23 2
24 23 24 1
25 24 25 2
26 20 25 1
27 14 26 1
28 2 26 1 #Down
29 19 27 2
30 19 28 2
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