| Entry |
|
|---|
| Name |
Brilanestrant (USAN/INN) |
|---|
| Formula |
C26H20ClFN2O2
|
|---|
| Exact mass |
446.1197
|
|---|
| Mol weight |
446.90
|
|---|
| Structure |
|
|---|
| Efficacy |
Antineoplastic, Estrogen receptor degrader |
|---|
| Comment |
Treatment of ER positive breast cancer
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
Estrogen receptor
NR3A (ESR)
D11264 Brilanestrant (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 32
1 C8y C 17.7800 -31.2900
2 C8x C 17.7800 -32.6900
3 C8x C 18.9924 -33.3900
4 C8y C 20.2049 -32.6900
5 C8x C 20.2049 -31.2900
6 C8x C 18.9924 -30.5900
7 C2c C 16.5676 -30.5900
8 C8y C 15.3721 -31.2804
9 C8x C 14.1847 -30.5949
10 C8x C 12.9723 -31.2950
11 C8y C 12.9724 -32.6950
12 C8y C 14.1597 -33.3804
13 C8x C 15.3721 -32.6804
14 C2c C 16.5675 -29.1902
15 C1b C 15.3719 -28.4998
16 C8y C 17.7968 -28.4803
17 C8x C 19.0008 -29.1754
18 C8x C 20.2132 -28.4753
19 C8y C 20.2132 -27.0753
20 C8x C 19.0092 -26.3802
21 C8y C 17.7967 -27.0803
22 X Cl 16.5761 -26.3754
23 X F 21.4317 -26.3717
24 C1a C 15.3718 -27.0903
25 N4x N 11.9535 -33.6124
26 N5x N 12.5112 -34.8648
27 C8x C 13.8747 -34.7215
28 C2b C 21.4360 -33.4010
29 C2b C 22.6412 -32.7053
30 C6a C 23.8536 -33.4053
31 O6a O 25.0850 -32.6945
32 O6a O 23.8537 -34.7899
BOND 35
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 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 2
16 14 15 1
17 14 16 1
18 16 17 2
19 17 18 1
20 18 19 2
21 19 20 1
22 20 21 2
23 16 21 1
24 21 22 1
25 19 23 1
26 15 24 1
27 11 25 1
28 25 26 1
29 26 27 2
30 12 27 1
31 4 28 1
32 28 29 2
33 29 30 1
34 30 31 1
35 30 32 2
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