| Entry |
|
|---|
| Name |
Tosagestin (USAN/INN) |
|---|
| Formula |
C21H24O2
|
|---|
| Exact mass |
308.1776
|
|---|
| Mol weight |
308.4141
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Efficacy |
Contraceptive |
|---|
| Comment |
progestin
Hormonal contraception, Hormone replacement therapy
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04914 | Progesterone-mediated oocyte maturation |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
3-Ketosteroid receptor
NR3C3 (PGR)
D06197 Tosagestin (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 23
1 C1x C 27.5730 -18.6322
2 C5x C 27.5730 -19.9904
3 C2x C 28.7492 -20.6695
4 C2y C 29.9255 -19.9904
5 C1y C 29.9255 -18.6322
6 C1x C 28.7492 -17.9530
7 C1x C 31.1017 -20.6695
8 C1x C 32.2780 -19.9904
9 C1y C 32.2780 -18.6322
10 C1y C 31.1017 -17.9530
11 C1y C 33.4543 -17.9530
12 C1z C 33.4543 -16.5949
13 C1x C 32.2780 -15.9158
14 C2y C 31.1017 -16.5949
15 O5x O 26.3968 -20.6695
16 C1a C 33.4543 -15.2367
17 C2a C 29.9275 -15.9169
18 C2x C 35.8118 -17.9530
19 C2x C 35.8118 -16.5949
20 C1z C 34.6330 -15.9143
21 O1a O 34.6324 -14.3112
22 C3b C 35.8118 -15.2338
23 C3a C 36.9905 -14.5532
BOND 26
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 2 15 2
18 12 16 1 #Up
19 14 17 2
20 11 18 1
21 18 19 2
22 19 20 1
23 12 20 1
24 20 21 1 #Up
25 20 22 1 #Down
26 22 23 3
|
|---|
