| Entry |
|
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| Name |
Telotristat etiprate (USAN);
Xermelo (TN) |
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| Product |
|
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| Formula |
C27H26ClF3N6O3. C9H9NO3
|
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| Exact mass |
753.2289
|
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| Mol weight |
754.15
|
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| Structure |
|
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| Remark |
| Product (DG02809): | D09975<US> |
|
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| Efficacy |
Antidiarrheal, Tryptophan hydroxylase inhibitor |
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| Comment |
Treatment of carcinoid syndrome and related disorders
|
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| Target |
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| Pathway |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
A ALIMENTARY TRACT AND METABOLISM
A16 OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
A16A OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
A16AX Various alimentary tract and metabolism products
A16AX15 Telotristat
D09975 Telotristat etiprate (USAN) <US>
USP drug classification [BR:br08302]
Gastrointestinal Agents
Anti-diarrheal Agents
Telotristat
D09975 Telotristat etiprate (USAN)
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Other monooxygenases
TPH
D09975 Telotristat etiprate (USAN) <US>
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 53
1 C8y C 21.0700 -25.9000
2 C8x C 21.0700 -27.3000
3 C8x C 22.2600 -28.0000
4 C8y C 23.5200 -27.3000
5 C8y C 23.5200 -25.9000
6 C8x C 22.2600 -25.2000
7 C1c C 24.7100 -28.0000
8 O2a O 25.9000 -27.3000
9 C8y C 27.0900 -28.0000
10 C1d C 24.7100 -29.4700
11 X F 23.5200 -30.1700
12 X F 25.9000 -30.1700
13 X F 24.7100 -30.8700
14 N5x N 27.0900 -29.4700
15 C8y C 28.3500 -30.1700
16 N5x N 29.6100 -29.4700
17 C8y C 29.6100 -28.0000
18 C8x C 28.3500 -27.3000
19 C8y C 30.8000 -27.3000
20 C8x C 31.9200 -28.0000
21 C8x C 33.1800 -27.3000
22 C8y C 33.1800 -25.9000
23 C8x C 31.9900 -25.2000
24 C8x C 30.8000 -25.9000
25 C1b C 34.3700 -25.2000
26 C1c C 35.5600 -25.9000
27 C7a C 36.7500 -25.2000
28 O7a O 37.9400 -25.9000
29 O6a O 36.7500 -23.8000
30 N1a N 35.5600 -27.3000
31 N4y N 24.7100 -25.2000
32 C8x C 24.7100 -23.8000
33 N5x N 26.0400 -25.6200
34 C8y C 26.8800 -24.5000
35 C8x C 26.0400 -23.3800
36 C1a C 28.2800 -24.5000
37 X Cl 19.8800 -25.2000
38 N1a N 28.3500 -31.5700
39 C1b C 39.2000 -25.2000
40 C1a C 40.3200 -25.9000
41 C8x C 32.9000 -30.4500
42 C8x C 32.9000 -31.8500
43 C8x C 34.1124 -32.5500
44 C8y C 35.3249 -31.8500
45 C8x C 35.3249 -30.4500
46 C8x C 34.1124 -29.7500
47 C5a C 36.5560 -32.5610
48 N1b N 37.7612 -31.8653
49 C1b C 38.9435 -32.5481
50 C6a C 40.1375 -31.8588
51 O5a O 36.5557 -33.9499
52 O6a O 41.3254 -32.5448
53 O6a O 40.1377 -30.4503
BOND 56
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 7 10 1 #Up
11 10 11 1
12 10 12 1
13 10 13 1
14 9 14 2
15 14 15 1
16 15 16 2
17 16 17 1
18 17 18 2
19 9 18 1
20 17 19 1
21 19 20 1
22 20 21 2
23 21 22 1
24 22 23 2
25 23 24 1
26 19 24 2
27 22 25 1
28 25 26 1
29 26 27 1
30 27 28 1
31 27 29 2
32 26 30 1 #Up
33 5 31 1
34 32 31 1
35 31 33 1
36 33 34 2
37 34 35 1
38 32 35 2
39 34 36 1
40 1 37 1
41 15 38 1
42 28 39 1
43 39 40 1
44 41 42 2
45 42 43 1
46 43 44 2
47 44 45 1
48 45 46 2
49 41 46 1
50 44 47 1
51 47 48 1
52 48 49 1
53 49 50 1
54 47 51 2
55 50 52 1
56 50 53 2
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