| Entry |
|
|---|
| Name |
|
|---|
| Product |
|
|---|
| Formula |
C32H29F5N3O5. Na
|
|---|
| Exact mass |
653.1925
|
|---|
| Mol weight |
653.5715
|
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| Structure |
   |
|---|
| Simcomp |
 |
|---|
| Remark |
| Product (DG01345): | D09336<US> |
|
|---|
| Efficacy |
Anti-endometriosis, Gonadotropin-releasing hormone receptor antagonist |
|---|
| Comment |
Management of hormone-dependent diseases such as endometrisis, uterine fibroids, prostate cancer, and benign prostatic hyperplasia
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Gonadotropin-releasing hormone
GNRHR
D09336 Elagolix sodium (USAN) <US>
New drug approvals in the USA [br08319.html]
New molecular entities and new therapeutic biological products
D09336
New drug approvals in the USA, Europe and Japan [br08328.html]
Approval dates by FDA, EMA and PMDA
D09336
 |
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| Other DBs |
|
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| LinkDB |
 |
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| KCF data |
ATOM 46
1 C8x C 17.0800 -17.9900
2 C8y C 17.0800 -19.3200
3 C8y C 18.2700 -20.0200
4 C8y C 19.4600 -19.3200
5 C8x C 19.4600 -17.9900
6 C8x C 18.2700 -17.2900
7 X F 18.2700 -21.4200
8 O2a O 15.8900 -20.0200
9 C1a C 14.7000 -19.3900
10 C8y C 20.7200 -20.0200
11 C8y C 20.7200 -21.4200
12 N4y N 21.9100 -22.1200
13 C8y C 23.1000 -21.4200
14 N4y N 23.1000 -20.0200
15 C8y C 21.9100 -19.3900
16 O5x O 21.9100 -17.9900
17 C1a C 19.5300 -22.1200
18 C1b C 21.9100 -24.4300
19 C1b C 24.2900 -19.3200
20 O5x O 24.2900 -22.1200
21 C8y C 23.1000 -25.1300
22 C8y C 23.1000 -26.4600
23 C8x C 24.3600 -27.1600
24 C8x C 25.5500 -26.4600
25 C8x C 25.5500 -25.1300
26 C8y C 24.3600 -24.4300
27 C1d C 21.9100 -27.1600
28 X F 20.7200 -27.8600
29 X F 22.6100 -28.3500
30 X F 21.2100 -25.9700
31 X F 24.3600 -23.0300
32 C1c C 25.4800 -20.0200
33 N1b N 26.6700 -19.3200
34 C1b C 27.8600 -20.0200
35 C1b C 29.0500 -19.3900
36 C1b C 30.1700 -20.0200
37 C6a C 31.3600 -19.3900
38 O6a O 32.5500 -20.0200 #-
39 O6a O 31.3600 -17.9900
40 C8y C 26.1800 -21.2100
41 C8x C 25.4800 -22.4000
42 C8x C 26.1800 -23.6600
43 C8x C 27.5800 -23.6600
44 C8x C 28.2800 -22.4000
45 C8x C 27.5800 -21.2100
46 Z Na 32.0008 -22.2762 #+
BOND 48
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 3 7 1
8 2 8 1
9 8 9 1
10 4 10 1
11 10 11 2
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 10 15 1
17 15 16 2
18 11 17 1
19 12 18 1
20 14 19 1
21 13 20 2
22 18 21 1
23 21 22 2
24 22 23 1
25 23 24 2
26 24 25 1
27 25 26 2
28 21 26 1
29 22 27 1
30 27 28 1
31 27 29 1
32 27 30 1
33 26 31 1
34 19 32 1
35 32 33 1
36 33 34 1
37 34 35 1
38 35 36 1
39 36 37 1
40 37 38 1
41 37 39 2
42 32 40 1 #Down
43 40 41 2
44 41 42 1
45 42 43 2
46 43 44 1
47 44 45 2
48 40 45 1
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