| Entry |
|
|---|
| Name |
Estetrol (USAN);
Estetrol anhydrous |
|---|
| Formula |
C18H24O4
|
|---|
| Exact mass |
304.1675
|
|---|
| Mol weight |
304.38
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Replenisher (estrogen), Estrogen receptor agonist |
|---|
| Comment |
Prevention of pregnancy and treatment of menopause VMS (vasomotor symptoms) and VVA (vulvar-vaginal atrophy)
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
Estrogen receptor
NR3A (ESR)
D11513 Estetrol (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 22
1 C8x C 8.8900 -16.8000
2 C8y C 8.8900 -18.2000
3 C8x C 10.1024 -18.9000
4 C8y C 11.3149 -18.2000
5 C8y C 11.3149 -16.8000
6 C8x C 10.1024 -16.1000
7 C1x C 12.5273 -18.9000
8 C1x C 13.7397 -18.2000
9 C1y C 13.7397 -16.8000
10 C1y C 12.5273 -16.1000
11 C1y C 14.9522 -16.1000
12 C1z C 14.9522 -14.7000
13 C1x C 13.7397 -14.0000
14 C1x C 12.5273 -14.7000
15 C1y C 17.3770 -16.1000
16 C1y C 17.3770 -14.7000
17 C1y C 16.1646 -14.0000
18 O1a O 7.6776 -18.9000
19 C1a C 14.9522 -13.3000
20 O1a O 16.1646 -12.6000
21 O1a O 18.3584 -17.0815
22 O1a O 18.5766 -14.0073
BOND 25
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 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 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 2 18 1
22 12 19 1 #Up
23 17 20 1 #Up
24 15 21 1 #Down
25 16 22 1 #Down
|
|---|
