Entry |
|
Name |
Topterone (USAN/INN) |
Formula |
C22H34O2
|
Exact mass |
330.2559
|
Mol weight |
330.50
|
Structure |

|
Simcomp |
|
Class |
Antineoplastic
DG01591 Androgen receptor antagonist
DG01623 Steroid-type antiandrogen
|
Efficacy |
Antiandrogen, Androgen receptor antagonist |
Target |
|
Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01591 Androgen receptor antagonist
DG01623 Steroid-type antiandrogen
D06191 Topterone
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
3-Ketosteroid receptor
NR3C4 (AR)
D06191 Topterone (USAN/INN)
|
Other DBs |
|
KCF data |
ATOM 24
1 C1x C 11.9000 -19.3200
2 C5x C 11.9000 -20.7200
3 C2x C 13.1124 -21.4200
4 C2y C 14.3249 -20.7200
5 C1z C 14.3249 -19.3200
6 C1x C 13.1124 -18.6200
7 C1x C 15.5373 -21.4200
8 C1x C 16.7497 -20.7200
9 C1y C 16.7497 -19.3200
10 C1y C 15.5373 -18.6200
11 C1y C 17.9622 -18.6200
12 C1z C 17.9622 -17.2200
13 C1x C 16.7497 -16.5200
14 C1x C 15.5373 -17.2200
15 C1x C 20.3870 -18.6200
16 C1x C 20.3870 -17.2200
17 C1z C 19.1746 -16.5200
18 O5x O 10.6876 -21.4200
19 C1a C 14.3249 -17.9200
20 C1a C 17.9622 -15.8200
21 O1a O 19.1746 -14.7000
22 C1b C 20.3870 -15.8200
23 C1b C 21.5866 -16.5127
24 C1a C 22.7759 -15.8260
BOND 27
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 2 18 2
22 5 19 1 #Up
23 12 20 1 #Up
24 17 21 1 #Up
25 17 22 1 #Down
26 22 23 1
27 23 24 1
|