| Entry |
|
|---|
| Name |
Onapristone (INN) |
|---|
| Formula |
C29H39NO3
|
|---|
| Exact mass |
449.293
|
|---|
| Mol weight |
449.6249
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Hormonal agent
DG01667 Progesterone receptor antagonist
|
|---|
| Efficacy |
Antineoplastic, Progesterone receptor antagonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04914 | Progesterone-mediated oocyte maturation |
|
|---|
| Structure map |
| map07226 | Progesterone, androgen and estrogen receptor agonists/antagonists |
|
|---|
| Brite |
Drug groups [BR:br08330]
Hormonal agent
DG01667 Progesterone receptor antagonist
D09571 Onapristone
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
3-Ketosteroid receptor
NR3C3 (PGR)
D09571 Onapristone (INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 33
1 C1y C 21.5632 -22.9290
2 C2y C 21.5632 -24.3073
3 C1y C 22.7347 -24.9964
4 C1y C 23.9752 -24.3073
5 C1z C 23.9752 -22.9290
6 C1x C 22.7347 -22.2398
7 C1x C 26.3183 -24.3073
8 C1x C 26.3183 -22.9290
9 C1z C 25.1468 -22.2398
10 C2y C 20.3917 -24.9964
11 C2y C 20.3917 -26.3747
12 C1x C 21.5632 -27.0639
13 C1x C 22.7347 -26.3747
14 C1x C 19.1512 -24.3073
15 C1x C 17.9796 -24.9964
16 C5x C 17.9796 -26.3747
17 C2x C 19.1512 -27.0639
18 C8y C 20.3917 -22.2398
19 C8x C 20.3917 -20.8616
20 C8x C 19.1512 -20.1724
21 C8y C 17.9796 -20.8616
22 C8x C 17.9796 -22.2398
23 C8x C 19.1512 -22.9290
24 N1c N 16.8081 -20.1724
25 C1a C 15.6365 -20.8616
26 C1a C 16.8081 -18.7941
27 O5x O 16.8081 -27.0639
28 C1a C 23.9752 -21.5507
29 O1a O 25.1468 -20.8616
30 C1b C 26.3183 -21.5507
31 C1b C 27.4898 -22.2398
32 C1b C 28.6614 -21.5507
33 O1a O 29.8329 -22.2398
BOND 37
1 1 2 1
2 2 3 1
3 3 4 1
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 5 9 1
11 2 10 2
12 10 11 1
13 11 12 1
14 12 13 1
15 3 13 1
16 10 14 1
17 14 15 1
18 15 16 1
19 16 17 1
20 11 17 2
21 1 18 1 #Up
22 18 19 2
23 19 20 1
24 20 21 2
25 21 22 1
26 22 23 2
27 18 23 1
28 21 24 1
29 24 25 1
30 24 26 1
31 16 27 2
32 5 28 1 #Down
33 9 29 1 #Down
34 30 31 1
35 9 30 1 #Up
36 31 32 1
37 32 33 1
|
|---|
