| Entry |
|
|---|
| Name |
Tipredane (USAN) |
|---|
| Formula |
C22H31FO2S2
|
|---|
| Exact mass |
410.1750
|
|---|
| Mol weight |
410.61
|
|---|
| Structure |
|
|---|
| Efficacy |
Anti-inflammatory (topical) |
|---|
| Comment |
Adrenocortical steroid
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
3-Ketosteroid receptor
NR3C1 (GR)
D06161 Tipredane (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 27
1 C1y C 24.6394 -20.1178
2 C1z C 23.4937 -19.4428
3 C1y C 25.8549 -19.4599
4 C1x C 24.6394 -21.4449
5 C1z C 22.3424 -20.1065
6 C1y C 23.5051 -18.1214
7 C1z C 25.8020 -18.1385
8 C1x C 28.0820 -19.4893
9 C1x C 23.4823 -22.1028
10 C2y C 22.3368 -21.4336
11 C2x C 21.1911 -19.4373
12 C1x C 24.6621 -17.4635
13 C1z C 26.9590 -17.4919
14 C1x C 28.0989 -18.1668
15 C2x C 21.1911 -22.0970
16 C2x C 20.0341 -20.1065
17 S2a S 28.6597 -16.2675
18 S2a S 26.9647 -15.8131
19 C5x C 20.0341 -21.4336
20 O5x O 18.8885 -22.0970
21 C1a C 22.3424 -18.7450
22 C1a C 25.8020 -16.7770
23 O1a O 22.3010 -17.4135
24 C1a C 25.7827 -15.1250
25 C1b C 29.8665 -16.9037
26 C1a C 31.0442 -16.1620
27 X F 23.4937 -20.8205
BOND 30
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 1
11 6 12 1
12 7 13 1
13 8 14 1
14 10 15 2
15 11 16 2
16 13 17 1 #Down
17 13 18 1 #Up
18 15 19 1
19 19 20 2
20 7 12 1
21 9 10 1
22 13 14 1
23 16 19 1
24 5 21 1 #Up
25 7 22 1 #Up
26 6 23 1 #Up
27 18 24 1
28 17 25 1
29 25 26 1
30 2 27 1 #Down
|
|---|
