Entry |
|
Name |
Alfatradiol (INN); 17alpha-Estradiol |
Formula |
C18H24O2
|
Exact mass |
272.1776
|
Mol weight |
272.382
|
Structure |
|
Simcomp |
|
Remark |
|
Efficacy |
5alpha-Reductase inhibitor |
Comment |
Topical treatment of androgenetic alopecia
|
Target |
|
Pathway |
|
Brite |
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
Estrogen receptor
NR3A (ESR)
D07121 Alfatradiol (INN)
Enzymes
Oxidoreductases (EC1)
Dehydrogenases
SRD5A1
D07121 Alfatradiol (INN)
SRD5A2
D07121 Alfatradiol (INN)
|
Other DBs |
|
KCF data |
ATOM 20
1 C8x C 23.3823 -19.4750
2 C8y C 23.3823 -20.8380
3 C8x C 24.5627 -21.5196
4 C8y C 25.7432 -20.8380
5 C8y C 25.7432 -19.4750
6 C8x C 24.5627 -18.7935
7 C1x C 26.9236 -21.5196
8 C1x C 28.1040 -20.8380
9 C1y C 28.1040 -19.4750
10 C1y C 26.9236 -18.7935
11 C1y C 29.2845 -18.7935
12 C1z C 29.2845 -17.4304
13 C1x C 28.1040 -16.7489
14 C1x C 26.9236 -17.4304
15 C1x C 31.6453 -18.7935
16 C1x C 31.6453 -17.4304
17 C1y C 30.4649 -16.7489
18 O1a O 22.2019 -21.5196
19 C1a C 29.2845 -16.0674
20 O1a O 30.4651 -15.3301
BOND 23
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
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 1
22 12 19 1 #Up
23 17 20 1 #Down
|