| Entry |
|
|---|
| Name |
Ralaniten acetate (USAN) |
|---|
| Formula |
C27H33ClO8
|
|---|
| Exact mass |
520.1864
|
|---|
| Mol weight |
521.00
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic, Antiandrogen |
|---|
| Comment |
Prostate cancer therapeutic
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
3-Ketosteroid receptor
NR3C4 (AR)
D11185 Ralaniten acetate (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 36
1 C8x C 14.9804 -15.4004
2 C8y C 14.9804 -16.8004
3 C8x C 16.1704 -17.5005
4 C8x C 17.3605 -16.8004
5 C8y C 17.3605 -15.4004
6 C8x C 16.1704 -14.7004
7 C1d C 18.6205 -14.7004
8 C8y C 19.8105 -15.4004
9 C8x C 19.8105 -16.8004
10 C8x C 21.0706 -17.5005
11 C8y C 22.2606 -16.8004
12 C8x C 22.2606 -15.4004
13 C8x C 21.0706 -14.7004
14 C1a C 19.3205 -13.4404
15 C1a C 17.9205 -13.4404
16 O2a O 13.7204 -17.5005
17 C1b C 12.5303 -16.8004
18 C1c C 11.3403 -17.5005
19 C1b C 10.1503 -16.8004
20 O7a O 8.9602 -17.5005
21 O2a O 23.4506 -17.5005
22 C1b C 24.6407 -16.8004
23 C1c C 25.9007 -17.5005
24 C1b C 27.0907 -16.8004
25 X Cl 28.2808 -17.5005
26 O7a O 11.3403 -18.9005
27 O7a O 25.9007 -18.9005
28 C7a C 7.7418 -16.8101
29 C1a C 6.5605 -17.5051
30 O6a O 7.8001 -15.4006
31 C7a C 10.1279 -19.6005
32 C1a C 8.9319 -18.9099
33 O6a O 10.1278 -20.9998
34 C7a C 27.1124 -19.6001
35 C1a C 28.3080 -18.9096
36 O6a O 27.1125 -20.9998
BOND 37
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 5 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 8 13 1
15 7 14 1
16 7 15 1
17 2 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 11 21 1
23 21 22 1
24 22 23 1
25 23 24 1
26 24 25 1
27 18 26 1 #Down
28 23 27 1 #Up
29 20 28 1
30 28 29 1
31 28 30 2
32 26 31 1
33 31 32 1
34 31 33 2
35 27 34 1
36 34 35 1
37 34 36 2
|
|---|
