| Entry |
|
|---|
| Name |
Elinzanetant (USAN/INN) |
|---|
| Formula |
C33H35F7N4O3
|
|---|
| Exact mass |
668.2597
|
|---|
| Mol weight |
668.64
|
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| Structure |
|
|---|
| Efficacy |
Neurokinin receptor antagonist |
|---|
| Comment |
Treatment of hot flashes and the vasomotor symptoms of menopause
|
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| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Tachykinin
TACR1 (NK1R)
D12123 Elinzanetant (USAN/INN)
TACR3 (NK3R)
D12123 Elinzanetant (USAN/INN)
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| Other DBs |
|
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| LinkDB |
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| KCF data |
ATOM 47
1 C8y C 21.7700 -15.1900
2 C8x C 21.7700 -16.5900
3 C8y C 20.5800 -17.2900
4 C8x C 19.3200 -16.5900
5 C8y C 19.3200 -15.1900
6 C8x C 20.5800 -14.4900
7 C1d C 18.1300 -14.4900
8 C5a C 16.9400 -15.1900
9 N1c N 15.7500 -14.4900
10 O5a O 16.9400 -16.5900
11 C8y C 14.5600 -15.1900
12 C8x C 14.5600 -16.5900
13 N5x N 13.3000 -17.2900
14 C8y C 12.1100 -16.5900
15 C8x C 12.1100 -15.1900
16 C8y C 13.3000 -14.4900
17 N1y N 10.9200 -17.2900
18 C1y C 10.9200 -18.6900
19 C1x C 9.6600 -19.3900
20 N1y N 8.4700 -18.6900
21 C1y C 8.4700 -17.2900
22 C1x C 9.6600 -16.5900
23 C1x C 7.2800 -19.3900
24 C1x C 6.0200 -18.6900
25 O2x O 6.0200 -17.2900
26 C1x C 7.2800 -16.5900
27 C8y C 13.3000 -13.0900
28 C8y C 12.1100 -12.3900
29 C8x C 12.1100 -10.9900
30 C8y C 13.3000 -10.2900
31 C8x C 14.5600 -10.9900
32 C8x C 14.5600 -12.3900
33 X F 13.3000 -8.8900
34 C1a C 10.9200 -13.0900
35 C1a C 15.7500 -13.0900
36 C1a C 19.1100 -13.5100
37 C1a C 17.4300 -13.3000
38 C1d C 20.5800 -18.6900
39 C1d C 22.9600 -14.4900
40 X F 19.1800 -18.6900
41 X F 21.9800 -18.6900
42 X F 20.5800 -20.0900
43 X F 24.2200 -13.7900
44 X F 22.2600 -13.3000
45 X F 23.6600 -15.6800
46 C1b C 12.1100 -19.3900
47 O1a O 13.3000 -18.6900
BOND 51
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 5 7 1
8 7 8 1
9 8 9 1
10 8 10 2
11 9 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 14 15 1
16 15 16 2
17 11 16 1
18 14 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 17 22 1
25 20 23 1
26 23 24 1
27 24 25 1
28 25 26 1
29 21 26 1
30 16 27 1
31 27 28 2
32 28 29 1
33 29 30 2
34 30 31 1
35 31 32 2
36 27 32 1
37 30 33 1
38 28 34 1
39 9 35 1
40 7 36 1
41 7 37 1
42 3 38 1
43 1 39 1
44 38 40 1
45 38 41 1
46 38 42 1
47 39 43 1
48 39 44 1
49 39 45 1
50 18 46 1 #Down
51 46 47 1
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