Entry |
|
Name |
Delmadinone (INN) |
Formula |
C21H25ClO3
|
Exact mass |
360.1492
|
Mol weight |
360.87
|
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
D07783 Delmadinone
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
Estrogen receptor
NR3A (ESR)
D07783 Delmadinone (INN)
3-Ketosteroid receptor
NR3C4 (AR)
D07783 Delmadinone (INN)
Drug groups [BR:br08330]
Antineoplastic
DG01591 Androgen receptor antagonist
DG02935 Delmadinone
|
Other DBs |
|
KCF data |
ATOM 25
1 C1y C 24.1500 -18.6200
2 C1y C 22.9600 -17.9200
3 C1y C 25.2700 -17.9200
4 C2x C 24.1500 -20.0200
5 C1z C 21.7700 -18.6200
6 C1x C 22.9600 -16.5900
7 C1z C 25.3400 -16.5900
8 C1x C 27.6500 -17.9900
9 C2y C 22.9600 -20.6500
10 C2y C 21.7700 -19.9500
11 C2x C 20.5800 -17.9200
12 C1x C 24.1500 -15.8900
13 C1z C 26.5300 -15.8900
14 C1a C 25.2700 -15.2600
15 C1x C 27.7200 -16.5900
16 C2x C 20.5800 -20.6500
17 C2x C 19.3900 -18.6200
18 C5x C 19.3900 -19.9500
19 O5x O 18.2000 -20.6500
20 X Cl 23.0300 -22.0500
21 C1a C 21.7700 -17.2200
22 C5a C 26.5300 -14.4900
23 O5a O 27.7200 -13.7900
24 C1a C 25.2700 -13.7900
25 O1a O 27.7200 -15.1900
BOND 28
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
|