| Entry |
|
|---|
| Name |
Osaterone acetate (JAN) |
|---|
| Formula |
C22H27ClO5
|
|---|
| Exact mass |
406.1547
|
|---|
| Mol weight |
406.8998
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Prostatic hyperplasia treatment, Androgen receptor antagonist |
|---|
| Target |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
3-Ketosteroid receptor
NR3C4 (AR)
D11105 Osaterone acetate (JAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 28
1 O7x O 8.1900 -17.1500
2 C7x C 8.1900 -18.5500
3 C2x C 9.3800 -19.2500
4 C2y C 10.6400 -18.5500
5 C1z C 10.6400 -17.1500
6 C1x C 9.3800 -16.4500
7 C2y C 11.8300 -19.2500
8 C2x C 13.0200 -18.5500
9 C1y C 13.0200 -17.1500
10 C1y C 11.8300 -16.4500
11 C1y C 14.2800 -16.4500
12 C1z C 14.2800 -15.0500
13 C1x C 13.0200 -14.3500
14 C1x C 11.8300 -15.0500
15 C1x C 16.6600 -16.4500
16 C1x C 16.6600 -15.0500
17 C1z C 15.4700 -14.3500
18 X Cl 11.8300 -20.6500
19 O6a O 7.0000 -19.2500
20 C1a C 10.6400 -15.7500
21 C1a C 14.2800 -13.6500
22 C5a C 15.4700 -12.9500
23 O5a O 16.6600 -12.2500
24 C1a C 14.2800 -12.2500
25 O7a O 16.6600 -13.6500
26 C7a C 17.8500 -14.3500
27 C1a C 19.0681 -13.6599
28 O6a O 17.8386 -15.7500
BOND 31
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 2
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 7 18 1
22 2 19 2
23 5 20 1 #Up
24 12 21 1 #Up
25 17 22 1 #Up
26 22 23 2
27 22 24 1
28 25 26 1
29 17 25 1 #Down
30 26 27 1
31 26 28 2
|
|---|
