| Entry |
|
|---|
| Name |
Linzagolix choline (JAN/USAN) |
|---|
| Formula |
C22H14F3N2O7S. C5H14NO
|
|---|
| Exact mass |
611.1549
|
|---|
| Mol weight |
611.5867
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Efficacy |
Anti-endometriosis, Gonadotropin-releasing hormone receptor antagonist |
|---|
| Comment |
Treatment of endometriosis pain and uterine myoma-associated heavy menstrual bleeding
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
H01 PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
H01C HYPOTHALAMIC HORMONES
H01CC Anti-gonadotropin-releasing hormones
H01CC04 Linzagolix
D11609 Linzagolix choline (JAN/USAN)
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Gonadotropin-releasing hormone
GNRHR
D11609 Linzagolix choline (JAN/USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 42
1 C1a C 22.2995 -17.5328
2 N1d N 23.4919 -16.8314 #+
3 C1b C 24.6842 -17.5328
4 C1b C 25.9468 -16.8314
5 O1a O 27.1391 -17.5328
6 C1a C 23.4919 -15.4286
7 C1a C 23.4919 -18.2342
8 C8y C 5.1124 -16.2434
9 C8x C 5.1124 -17.6437
10 C8x C 6.3027 -18.3439
11 C8y C 7.5629 -17.6437
12 C8y C 7.5629 -16.2434
13 C8y C 6.3027 -15.5433
14 X F 6.3027 -14.1430
15 X F 3.9222 -15.5433
16 C1b C 8.7532 -15.5433
17 O2a O 9.9434 -16.2434
18 O2a O 8.7532 -18.3439
19 C1a C 9.9434 -17.6437
20 C8y C 11.1337 -15.5433
21 C8x C 12.3239 -16.2434
22 C8y C 13.5842 -15.5433
23 C8y C 13.5842 -14.1430
24 C8x C 12.3939 -13.4429
25 C8y C 11.1337 -14.1430
26 O2a O 9.9434 -13.4429
27 C1a C 8.7532 -14.1430
28 X F 14.7744 -13.4429
29 N4y N 14.7744 -16.2434
30 C8y C 14.7744 -17.6437
31 N4x N 16.0347 -18.3439
32 C8y C 17.2249 -17.6437
33 C8y C 17.2249 -16.2434
34 C8y C 16.0347 -15.5433
35 O5x O 13.5842 -18.3439
36 C8x C 18.5552 -18.0638
37 S2x S 19.3954 -16.9436
38 C8y C 18.5552 -15.8234
39 C6a C 18.9753 -14.4931
40 O6a O 20.4456 -14.2130
41 O6a O 18.0651 -13.4429 #-
42 O5x O 16.0347 -14.1430
BOND 44
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 2 6 1
6 2 7 1
7 8 9 2
8 9 10 1
9 10 11 2
10 11 12 1
11 12 13 2
12 8 13 1
13 13 14 1
14 8 15 1
15 12 16 1
16 16 17 1
17 11 18 1
18 18 19 1
19 17 20 1
20 20 21 2
21 21 22 1
22 22 23 2
23 23 24 1
24 24 25 2
25 20 25 1
26 25 26 1
27 26 27 1
28 23 28 1
29 22 29 1
30 29 30 1
31 30 31 1
32 31 32 1
33 32 33 1
34 33 34 1
35 29 34 1
36 30 35 2
37 32 36 2
38 36 37 1
39 37 38 1
40 33 38 2
41 38 39 1
42 39 40 2
43 39 41 1
44 34 42 2
|
|---|
