| Entry |
|
|---|
| Name |
Epitiostanol (JAN/INN) |
|---|
| Formula |
C19H30OS
|
|---|
| Exact mass |
306.2017
|
|---|
| Mol weight |
306.5059
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antineoplastic
DG01585 Estrogen receptor antagonist
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic, Estrogen receptor antagonist |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Structure map |
| map07226 | Progesterone, androgen and estrogen receptor agonists/antagonists |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01585 Estrogen receptor antagonist
D01265 Epitiostanol
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
Estrogen receptor
NR3A (ESR)
D01265 Epitiostanol (JAN/INN)
Prodrugs [br08324.html]
D01265
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 21
1 C1z C 24.1749 -15.6995
2 C1y C 24.1749 -17.0654
3 C1x C 26.5395 -17.0654
4 C1x C 26.5395 -15.6995
5 C1y C 25.3607 -15.0165
6 O1a O 25.3625 -13.6506
7 C1x C 19.4348 -19.7695
8 C1x C 19.4348 -17.0377
9 C1z C 20.6136 -17.7207
10 C1y C 20.6078 -19.0866
11 C1x C 21.7878 -19.7745
12 C1x C 22.9736 -19.0967
13 C1y C 21.7996 -17.0429
14 C1y C 22.9738 -17.7336
15 C1x C 22.9961 -15.0091
16 C1x C 21.8107 -15.6804
17 C1y C 18.2490 -19.0866
18 C1y C 18.2490 -17.7207
19 S2x S 17.0653 -18.4112
20 C1a C 20.6016 -16.3548
21 C1a C 24.1612 -14.3335
BOND 25
1 1 2 1
2 14 2 1
3 1 15 1
4 15 16 1
5 16 13 1
6 9 8 1
7 9 10 1
8 10 11 1
9 11 12 1
10 12 14 1
11 13 9 1
12 8 18 1
13 17 7 1
14 7 10 1
15 13 14 1
16 17 18 1
17 17 19 1 #Down
18 18 19 1 #Down
19 3 4 1
20 4 5 1
21 5 1 1
22 2 3 1
23 9 20 1 #Up
24 5 6 1 #Up
25 1 21 1 #Up
|
|---|
