| Entry |
|
|---|
| Name |
Clometherone (USAN/INN) |
|---|
| Formula |
C22H31ClO2
|
|---|
| Exact mass |
362.2013
|
|---|
| Mol weight |
362.93
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antineoplastic
DG01591 Androgen receptor antagonist
|
|---|
| Efficacy |
Androgen receptor antagonist, Estrogen receptor antagonist |
|---|
| Comment |
progestin
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01591 Androgen receptor antagonist
D03551 Clometherone
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
Estrogen receptor
NR3A (ESR)
D03551 Clometherone (USAN/INN)
3-Ketosteroid receptor
NR3C4 (AR)
D03551 Clometherone (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 25
1 C1y C 21.2685 -12.2684
2 C1z C 20.1501 -12.8989
3 C1y C 22.3760 -12.9155
4 C5a C 21.2576 -10.9746
5 C1y C 20.1444 -14.1875
6 C1x C 19.0480 -12.2520
7 C1a C 20.1337 -11.6106
8 C1x C 22.3707 -14.1984
9 C1a C 20.1282 -10.3221
10 O5a O 22.3707 -10.3165
11 C1y C 19.0261 -14.8290
12 C1x C 17.9240 -12.8826
13 C1y C 17.9131 -14.1709
14 C1x C 19.0261 -16.1175
15 C1z C 16.7944 -14.8180
16 C1y C 17.9021 -16.7645
17 C2y C 16.7891 -16.1066
18 C1x C 15.6817 -14.1656
19 C1a C 16.7837 -13.5240
20 C2x C 15.6817 -16.7589
21 C1x C 14.5577 -14.8180
22 C5x C 14.5577 -16.1066
23 O5x O 13.4209 -16.7612
24 C1a C 23.5247 -12.2594
25 X Cl 17.8947 -18.1335
BOND 28
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 2 6 1
6 2 7 1 #Up
7 3 8 1
8 4 9 1
9 4 10 2
10 5 11 1
11 6 12 1
12 11 13 1
13 11 14 1
14 13 15 1
15 14 16 1
16 15 17 1
17 15 18 1
18 15 19 1 #Up
19 17 20 2
20 18 21 1
21 20 22 1
22 5 8 1
23 12 13 1
24 16 17 1
25 21 22 1
26 22 23 2 #Up
27 3 24 1 #Down
28 16 25 1 #Down
|
|---|
