| Entry |
|
|---|
| Name |
Imlunestrant (USAN) |
|---|
| Formula |
C29H24F4N2O3
|
|---|
| Exact mass |
524.1723
|
|---|
| Mol weight |
524.50
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
Estrogen receptor
NR3A1 (ESR1)
D12216 Imlunestrant (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 38
1 C8y C 15.3300 -16.8000
2 C8y C 15.3300 -15.4000
3 N5x N 14.1400 -14.7000
4 C8x C 12.8800 -15.4000
5 C8y C 12.8800 -16.8000
6 C8y C 14.1400 -17.5000
7 C8x C 16.5200 -17.5000
8 C8x C 17.7800 -16.8000
9 C8y C 17.7800 -15.4000
10 C8x C 16.5200 -14.7000
11 O1a O 18.9700 -14.7000
12 C8y C 11.6900 -17.5000
13 C8y C 11.6900 -18.9000
14 O2x O 12.8800 -19.6000
15 C1y C 14.1400 -18.9000
16 C8x C 10.5000 -16.8000
17 C8x C 9.2400 -17.5000
18 C8y C 9.2400 -18.9000
19 C8x C 10.5000 -19.6000
20 C1d C 8.0500 -19.6000
21 X F 6.7900 -20.3000
22 X F 8.7500 -20.7900
23 X F 7.3500 -18.4100
24 C8y C 15.3300 -19.6000
25 C8x C 15.3300 -21.0000
26 C8x C 16.5900 -21.7000
27 C8y C 17.7800 -21.0000
28 C8x C 17.7800 -19.6000
29 C8x C 16.5900 -18.9000
30 O2a O 18.9700 -21.7000
31 C1b C 20.1600 -21.0000
32 C1b C 21.3500 -21.7000
33 N1y N 22.5400 -21.0000
34 C1x C 23.8700 -21.3500
35 C1y C 24.2200 -20.0200
36 C1x C 22.8900 -19.6700
37 C1b C 25.4800 -19.3200
38 X F 26.6700 -20.0200
BOND 43
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 1 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 2 10 1
12 9 11 1
13 5 12 1
14 12 13 1
15 13 14 1
16 14 15 1
17 6 15 1
18 12 16 2
19 16 17 1
20 17 18 2
21 18 19 1
22 13 19 2
23 18 20 1
24 20 21 1
25 20 22 1
26 20 23 1
27 15 24 1 #Up
28 24 25 2
29 25 26 1
30 26 27 2
31 27 28 1
32 28 29 2
33 24 29 1
34 27 30 1
35 30 31 1
36 31 32 1
37 32 33 1
38 33 34 1
39 34 35 1
40 35 36 1
41 33 36 1
42 35 37 1
43 37 38 1
|
|---|
