| Entry |
|
|---|
| Name |
Aglepristone (INN);
Alizine (TN) |
|---|
| Formula |
C29H37NO2
|
|---|
| Exact mass |
431.2824
|
|---|
| Mol weight |
431.61
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Hormonal agent
DG01667 Progesterone receptor antagonist
|
|---|
| Efficacy |
Abortifacient (veterinary), Progesterone receptor antagonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04914 | Progesterone-mediated oocyte maturation |
|
|---|
| Brite |
Drug groups [BR:br08330]
Hormonal agent
DG01667 Progesterone receptor antagonist
D07096 Aglepristone
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
3-Ketosteroid receptor
NR3C3 (PGR)
D07096 Aglepristone (INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 32
1 C2y C 26.8960 -19.8220
2 C1y C 28.0166 -20.5224
3 C1y C 26.8960 -18.4211
4 C2y C 25.7052 -20.5224
5 C1y C 29.2774 -19.8220
6 C1x C 28.0166 -21.8532
7 C1x C 28.0867 -17.7908
8 C8y C 25.7052 -17.7908
9 C2y C 25.7052 -21.8532
10 C1x C 24.5145 -19.8220
11 C1z C 29.2774 -18.4912
12 C1x C 31.5888 -19.8220
13 C1x C 26.8259 -22.5536
14 C8x C 25.7052 -16.3899
15 C8x C 24.5145 -18.4211
16 C2x C 24.5145 -22.5536
17 C1x C 23.3238 -20.5224
18 C1z C 30.4681 -17.7908
19 C1a C 29.2774 -17.1604
20 C1x C 31.5888 -18.4912
21 C8x C 24.5145 -15.6895
22 C8x C 23.3238 -17.7207
23 C5x C 23.3238 -21.8532
24 C2b C 31.5888 -17.0903
25 C8y C 23.3238 -16.3899
26 O5x O 22.1331 -22.5536
27 N1c N 22.1331 -15.6895
28 C1a C 22.1331 -14.2886
29 C1a C 20.9424 -16.3899
30 O1a O 30.4681 -16.2498
31 C2b C 32.8257 -17.7478
32 C1a C 32.8042 -19.1214
BOND 36
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1 #Up
8 4 9 1
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 8 14 2
14 8 15 1
15 9 16 2
16 10 17 1
17 11 18 1
18 11 19 1 #Up
19 12 20 1
20 14 21 1
21 15 22 2
22 16 23 1
23 18 24 1 #Down
24 21 25 2
25 23 26 2
26 25 27 1
27 27 28 1
28 27 29 1
29 7 11 1
30 9 13 1
31 17 23 1
32 18 20 1
33 22 25 1
34 18 30 1 #Up
35 24 31 2
36 31 32 1
|
|---|
