| Entry |
|
|---|
| Name |
Trimegestone (USAN/INN) |
|---|
| Formula |
C22H30O3
|
|---|
| Exact mass |
342.2195
|
|---|
| Mol weight |
342.47
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Efficacy |
Contraceptive, Replenisher (progesterone) |
|---|
| Comment |
Progestin
|
|---|
| 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)
D06235 Trimegestone (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 25
1 C1x C 22.6100 -20.5100
2 C5x C 22.6100 -21.9100
3 C2x C 23.8000 -22.6100
4 C2y C 24.9900 -21.9100
5 C2y C 24.9900 -20.5100
6 C1x C 23.8000 -19.8100
7 C1x C 26.2500 -22.6100
8 C1x C 27.4400 -21.9100
9 C1y C 27.4400 -20.5100
10 C2y C 26.2500 -19.8100
11 C1y C 28.6300 -19.8100
12 C1z C 28.6300 -18.4800
13 C1x C 27.4400 -17.7800
14 C1x C 26.2500 -18.4800
15 O5x O 21.4200 -22.6100
16 C1a C 28.6300 -17.0800
17 C1x C 31.0549 -19.8100
18 C1x C 31.0549 -18.4800
19 C1z C 29.8424 -17.7800
20 C5a C 29.8424 -16.3802
21 O5a O 28.6132 -15.6703
22 C1c C 31.0380 -15.6898
23 C1a C 32.2252 -16.3752
24 O1a O 31.0382 -14.2803
25 C1a C 31.1097 -17.2352
BOND 28
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 2
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 11 17 1
20 17 18 1
21 18 19 1
22 12 19 1
23 19 20 1 #Up
24 20 21 2
25 20 22 1
26 22 23 1
27 22 24 1 #Up
28 19 25 1 #Down
|
|---|
