| Entry |
|
|---|
| Name |
Amcenestrant (JAN/USAN/INN) |
|---|
| Formula |
C31H30Cl2FNO3
|
|---|
| Exact mass |
553.1587
|
|---|
| Mol weight |
554.47
|
|---|
| Structure |
|
|---|
| Efficacy |
Antineoplastic, Selective estrogen receptor downregulator |
|---|
| Comment |
Selective estrogen receptor downregulator (SERD)
Treatment of breast cancer
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
Estrogen receptor
NR3A1 (ESR1)
D12145 Amcenestrant (JAN/USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 38
1 C2y C 9.3100 -14.4200
2 C8y C 8.1900 -15.3300
3 C8y C 6.8600 -14.9800
4 C1x C 6.2300 -13.7200
5 C2y C 9.3100 -13.0200
6 C1x C 6.8600 -12.4600
7 C1x C 8.1900 -12.1800
8 C8y C 10.5700 -15.0500
9 C8y C 10.5700 -12.3900
10 C8x C 10.5700 -16.4500
11 C8x C 11.8300 -17.1500
12 C8y C 13.0200 -16.3800
13 C8x C 13.0200 -14.9800
14 C8x C 11.7600 -14.2800
15 C8x C 11.7600 -13.0900
16 C8x C 13.0200 -12.3900
17 C8y C 13.0200 -10.9900
18 C8x C 11.7600 -10.2900
19 C8y C 10.5700 -10.9900
20 X Cl 9.3100 -10.3600
21 X Cl 14.2100 -10.2900
22 O2a O 14.2800 -17.0800
23 C1y C 15.4700 -16.3100
24 C1x C 16.5900 -17.1500
25 N1y N 17.7100 -16.3800
26 C1x C 17.3600 -14.9800
27 C1x C 15.8900 -14.9800
28 C1b C 18.9000 -17.0800
29 C1b C 20.0900 -16.3800
30 C1b C 21.2800 -17.0800
31 X F 22.4700 -16.3800
32 C8x C 5.8800 -15.9600
33 C8y C 6.2300 -17.3600
34 C8x C 7.5600 -17.7100
35 C8x C 8.5400 -16.6600
36 C6a C 5.2500 -18.3400
37 O6a O 3.9200 -17.9900
38 O6a O 5.6000 -19.6700
BOND 42
1 3 4 1
2 1 5 2
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 1 8 1
9 5 9 1
10 8 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 8 14 1
16 9 15 2
17 15 16 1
18 16 17 2
19 17 18 1
20 18 19 2
21 9 19 1
22 19 20 1
23 17 21 1
24 12 22 1
25 23 22 1 #Up
26 23 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 23 27 1
31 28 25 1
32 28 29 1
33 29 30 1
34 30 31 1
35 3 32 2
36 32 33 1
37 33 34 2
38 34 35 1
39 2 35 2
40 33 36 1
41 36 37 1
42 36 38 2
|
|---|
