| Entry |
|
|---|
| Name |
Eletriptan (INN) |
|---|
| Formula |
C22H26N2O2S
|
|---|
| Exact mass |
382.1715
|
|---|
| Mol weight |
382.52
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| 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 |
Sumatriptan derivative
|
|---|
| 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
N02CC Selective serotonin (5HT1) agonists
N02CC06 Eletriptan
D07887 Eletriptan (INN)
Drug groups [BR:br08330]
Analgesic
DG01484 5-HT1B-receptor agonist
DG00840 Eletriptan
D07887 Eletriptan
DG01485 5-HT1D-receptor agonist
DG00840 Eletriptan
D07887 Eletriptan
DG01518 5-HT1B/1D-receptor agonist
DG00840 Eletriptan
D07887 Eletriptan
DG01943 Triptan
DG00840 Eletriptan
D07887 Eletriptan
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00840 Eletriptan
D07887 Eletriptan
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Serotonin
HTR1B
D07887 Eletriptan (INN)
HTR1D
D07887 Eletriptan (INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D07887
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 |
|
|---|
| KCF data |
ATOM 27
1 C1y C 29.1900 -16.6600
2 N1y N 29.1900 -15.2600
3 C1a C 27.9300 -14.5600
4 C1x C 30.5200 -17.0800
5 C1x C 31.2900 -15.9600
6 C1x C 30.5200 -14.8400
7 C8x C 24.1500 -20.5800
8 C8y C 24.1500 -19.1800
9 C8x C 25.4100 -18.4800
10 C8y C 26.6000 -19.1800
11 C8y C 26.6000 -20.5800
12 C8x C 25.4100 -21.2800
13 C8y C 27.9300 -18.7600
14 C8x C 28.7700 -19.8800
15 N4x N 27.9300 -21.0000
16 C1b C 22.9600 -18.4800
17 C1b C 21.7700 -19.1800
18 S4a S 20.5800 -18.4800
19 C8y C 19.3200 -19.1800
20 C8x C 19.3200 -20.5800
21 C8x C 18.1300 -21.2800
22 C8x C 16.9400 -20.5800
23 C8x C 16.9400 -19.1800
24 C8x C 18.1300 -18.4800
25 C1b C 27.9300 -17.3600
26 O3c O 21.5600 -17.5000
27 O3c O 19.6000 -17.5000
BOND 30
1 1 2 1
2 2 3 1
3 1 4 1
4 4 5 1
5 5 6 1
6 2 6 1
7 7 8 2
8 8 9 1
9 9 10 2
10 10 11 1
11 11 12 2
12 7 12 1
13 10 13 1
14 13 14 2
15 14 15 1
16 11 15 1
17 8 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 2
22 20 21 1
23 21 22 2
24 22 23 1
25 23 24 2
26 19 24 1
27 13 25 1
28 1 25 1 #Down
29 18 26 2
30 18 27 2
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