| Entry |
|
|---|
| Name |
Delmadinone acetate (USAN) |
|---|
| Formula |
C23H27ClO4
|
|---|
| Exact mass |
402.1598
|
|---|
| Mol weight |
402.91
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antineoplastic
DG01591 Androgen receptor antagonist
|
|---|
| Remark |
|
|---|
| Efficacy |
Androgen receptor antagonist |
|---|
| Comment |
Progestin
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Structure map |
| map07226 | Progesterone, androgen and estrogen receptor agonists/antagonists |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01591 Androgen receptor antagonist
DG02935 Delmadinone
D03675 Delmadinone acetate
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
3-Ketosteroid receptor
NR3C4 (AR)
D03675 Delmadinone acetate (USAN)
Drug groups [BR:br08330]
Antineoplastic
DG01591 Androgen receptor antagonist
DG02935 Delmadinone
|
|---|
| Other DBs |
|
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| LinkDB |
|
|---|
| KCF data |
ATOM 28
1 C1y C 34.5419 -20.1300
2 C1y C 33.3732 -19.4415
3 C1y C 35.7104 -19.4589
4 C2x C 34.5419 -21.4837
5 C1z C 32.1988 -20.1185
6 C1x C 33.3848 -18.0936
7 C1z C 35.7278 -18.1109
8 C1x C 38.0535 -19.4878
9 C2y C 33.3616 -22.1549
10 C2y C 32.1931 -21.4722
11 C2x C 31.0244 -19.4358
12 C1x C 34.5651 -17.4225
13 C1z C 36.9080 -17.4514
14 C1a C 35.6873 -16.8266
15 C1x C 38.0708 -18.1399
16 C2x C 31.0244 -22.1489
17 C2x C 29.8443 -20.1185
18 C5x C 29.8443 -21.4722
19 O5x O 28.6756 -22.1489
20 X Cl 33.4235 -23.5558
21 C1a C 32.1988 -18.7297
22 C5a C 36.9080 -16.0514
23 O5a O 38.1159 -15.3539
24 C1a C 35.6727 -15.3385
25 O7a O 38.1204 -16.7514
26 C7a C 39.3453 -17.4589
27 C1a C 40.5663 -16.7546
28 O6a O 39.3447 -18.8300
BOND 31
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 2
9 5 10 1
10 5 11 1
11 6 12 1
12 7 13 1
13 7 14 1 #Up
14 8 15 1
15 10 16 2
16 11 17 2
17 16 18 1
18 18 19 2
19 7 12 1
20 9 10 1
21 13 15 1
22 17 18 1
23 9 20 1
24 5 21 1 #Up
25 13 22 1 #Up
26 22 23 2
27 22 24 1
28 13 25 1 #Down
29 25 26 1
30 26 27 1
31 26 28 2
|
|---|
