| Entry |
|
|---|
| Name |
Amadinone acetate (USAN) |
|---|
| Formula |
C22H27ClO4
|
|---|
| Exact mass |
390.1598
|
|---|
| Mol weight |
390.90
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Efficacy |
Progesterone receptor agonist |
|---|
| Comment |
Progestin
|
|---|
| Target |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
3-Ketosteroid receptor
NR3C3 (PGR)
D02881 Amadinone acetate (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 27
1 C1z C 31.2393 -14.2918
2 C5a C 31.2393 -12.8907
3 O5a O 32.4302 -12.1901
4 C1a C 30.0483 -12.1901
5 O7a O 32.4302 -13.5912
6 C7a C 33.6211 -14.2918
7 C1a C 34.8120 -13.5912
8 O6a O 33.6211 -15.6228
9 C1z C 30.0483 -14.9222
10 C1y C 30.0483 -16.3233
11 C1x C 32.4302 -16.3233
12 C1x C 32.4302 -14.9222
13 C1x C 24.0937 -16.9538
14 C5x C 24.0937 -18.3549
15 C2x C 25.2846 -19.0555
16 C1x C 25.2846 -16.3233
17 C1y C 26.4756 -16.9538
18 C2y C 26.4756 -18.3549
19 C2y C 27.6665 -19.0555
20 C2x C 28.8574 -18.3549
21 C1y C 27.6665 -16.3233
22 C1y C 28.8574 -17.0239
23 C1x C 28.9275 -14.2918
24 C1x C 27.6665 -14.9222
25 C1a C 30.0483 -13.5912
26 O5x O 22.9028 -19.0555
27 X Cl 27.6665 -20.4565
BOND 30
1 1 5 1 #Down
2 13 14 1
3 14 15 1
4 15 18 2
5 17 16 1
6 16 13 1
7 2 3 2
8 5 6 1
9 6 8 2
10 17 18 1
11 18 19 1
12 19 20 2
13 20 22 1
14 21 17 1
15 1 2 1 #Up
16 6 7 1
17 2 4 1
18 21 22 1
19 22 10 1
20 9 23 1
21 23 24 1
22 24 21 1
23 9 10 1
24 9 25 1 #Up
25 11 12 1
26 12 1 1
27 1 9 1
28 10 11 1
29 14 26 2
30 19 27 1
|
|---|
