| Entry |
|
|---|
| Name |
Gestaclone (USAN/INN) |
|---|
| Formula |
C23H27ClO2
|
|---|
| Exact mass |
370.1700
|
|---|
| Mol weight |
370.91
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Efficacy |
Progesterone receptor agonist |
|---|
| 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)
D04315 Gestaclone (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 26
1 C1y C 9.8700 -17.1500
2 C5x C 9.8700 -18.5500
3 C2x C 11.0600 -19.2500
4 C2y C 12.3200 -18.5500
5 C1z C 12.3200 -17.1500
6 C1y C 11.0600 -16.4500
7 C2y C 13.5100 -19.2500
8 C2x C 14.7000 -18.5500
9 C1y C 14.7000 -17.1500
10 C1y C 13.5100 -16.4500
11 C1y C 15.9600 -16.4500
12 C1z C 15.9600 -15.0500
13 C1x C 14.7000 -14.3500
14 C1x C 13.5100 -15.0500
15 C1x C 17.2900 -16.8700
16 C1y C 18.0600 -15.7500
17 C1z C 17.2900 -14.6300
18 O5x O 8.6800 -19.2500
19 X Cl 13.5100 -20.6500
20 C1a C 12.3200 -15.7500
21 C1a C 15.9600 -13.6500
22 C5a C 17.2900 -13.2300
23 O5a O 18.4800 -12.5300
24 C1a C 16.1000 -12.5300
25 C1x C 9.8700 -15.7500
26 C1x C 18.6620 -14.4760
BOND 31
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 4 7 1
7 7 8 2
8 8 9 1
9 9 10 1
10 5 10 1
11 9 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 10 14 1
16 11 15 1
17 15 16 1
18 12 17 1
19 2 18 2
20 7 19 1
21 5 20 1 #Up
22 12 21 1 #Up
23 17 22 1 #Up
24 22 23 2
25 22 24 1
26 6 25 1
27 1 6 1
28 1 25 1
29 26 17 1
30 17 16 1
31 16 26 1
|
|---|
