| Entry |
|
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| Name |
Avitriptan fumarate (USAN) |
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| Formula |
C22H30N6O3S. C4H4O4
|
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| Exact mass |
574.2210
|
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| Mol weight |
574.65
|
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| Structure |
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| Class |
|
|---|
| Efficacy |
Antimigraine, Serotonin receptor agonist |
|---|
| Comment |
Sumatriptan derivative
|
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| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
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| Interaction |
|
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| Structure map |
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| Brite |
Drug groups [BR:br08330]
Analgesic
DG01484 5-HT1B-receptor agonist
D03014 Avitriptan fumarate
DG01485 5-HT1D-receptor agonist
D03014 Avitriptan fumarate
DG01518 5-HT1B/1D-receptor agonist
D03014 Avitriptan fumarate
DG01943 Triptan
D03014 Avitriptan fumarate
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Serotonin
HTR1B
D03014 Avitriptan fumarate (USAN)
HTR1D
D03014 Avitriptan fumarate (USAN)
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| Other DBs |
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| KCF data |
ATOM 40
1 C8y C 19.4270 -21.7955
2 C8y C 19.4329 -23.2021
3 C8y C 20.7636 -21.3637
4 C8x C 18.2189 -21.0837
5 N4x N 20.7693 -23.6282
6 C8x C 18.2131 -23.8966
7 C8x C 21.5865 -22.4901
8 C8y C 16.9993 -21.7897
9 C8x C 17.0050 -23.1962
10 C1b C 15.7794 -21.0951
11 S4a S 14.5713 -21.8014
12 N1b N 13.3632 -21.1011
13 O3c O 15.5635 -22.8052
14 O3c O 13.5732 -22.8052
15 C1a C 12.1491 -21.8071
16 C1b C 20.7636 -19.9637
17 C1b C 22.0017 -19.2488
18 C1b C 22.0018 -17.8502
19 N1y N 23.1979 -17.1595
20 C1x C 24.3853 -17.8450
21 C1x C 25.5977 -17.1450
22 N1y N 25.5977 -15.7450
23 C1x C 24.4103 -15.0595
24 C1x C 23.1979 -15.7595
25 C8y C 26.8245 -15.0365
26 N5x N 28.0319 -15.7334
27 C8x C 29.2442 -15.0333
28 N5x N 29.2441 -13.6333
29 C8x C 28.0368 -12.9364
30 C8y C 26.8244 -13.6365
31 O2a O 25.6071 -12.9337
32 C1a C 24.3975 -13.6322
33 O6a O 24.6639 -22.6583
34 C6a C 25.8796 -21.9587
35 C2b C 27.0951 -22.6512
36 C2b C 28.3037 -21.9516
37 C6a C 29.5194 -22.6440
38 O6a O 30.7352 -21.9445
39 O6a O 29.5123 -24.0506
40 O6a O 25.8766 -20.5522
BOND 42
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 2
6 3 7 2
7 4 8 1
8 6 9 1
9 8 10 1
10 10 11 1
11 11 12 1
12 11 13 2
13 11 14 2
14 12 15 1
15 5 7 1
16 8 9 2
17 3 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 22 23 1
25 23 24 1
26 19 24 1
27 22 25 1
28 25 26 2
29 26 27 1
30 27 28 2
31 28 29 1
32 29 30 2
33 25 30 1
34 30 31 1
35 31 32 1
36 33 34 1
37 34 35 1
38 35 36 2
39 36 37 1
40 37 38 1
41 37 39 2
42 34 40 2
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