| Entry |
|
|---|
| Name |
Vepdegestrant (JAN/USAN/INN) |
|---|
| Formula |
C45H49N5O4
|
|---|
| Exact mass |
723.3785
|
|---|
| Mol weight |
723.90
|
|---|
| Structure |
|
|---|
| Class |
Antineoplastic
DG01585 Estrogen receptor antagonist
|
|---|
| Efficacy |
Antineoplastic, Estrogen receptor antagonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04961 | Endocrine and other factor-regulated calcium reabsorption |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01585 Estrogen receptor antagonist
D12628 Vepdegestrant
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
Estrogen receptor
NR3A1 (ESR1)
D12628 Vepdegestrant (JAN/USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 54
1 C8x C 8.8900 -18.4100
2 C8x C 8.8900 -19.8100
3 C8x C 10.0800 -20.5100
4 C8x C 11.3400 -19.8100
5 C8y C 11.3400 -18.4100
6 C8x C 10.0800 -17.7100
7 C1y C 12.5300 -17.7100
8 C1x C 12.4600 -15.3300
9 C1x C 11.8300 -16.5900
10 C1y C 13.9300 -17.7100
11 C8y C 14.6300 -16.4500
12 C8y C 13.9300 -15.3300
13 C8x C 16.0300 -16.4500
14 C8x C 16.6600 -15.1900
15 C8y C 15.9600 -14.0700
16 C8x C 14.5600 -14.0700
17 C8y C 15.1200 -18.4100
18 C8x C 15.1200 -19.8100
19 C8x C 16.3100 -20.5100
20 C8y C 17.5700 -19.8100
21 C8x C 17.5700 -18.4100
22 C8x C 16.3100 -17.7100
23 N1y N 18.7766 -20.5200
24 C1x C 18.7650 -21.9100
25 C1x C 19.9716 -22.6201
26 C1y C 21.1898 -21.9302
27 C1x C 21.2014 -20.5402
28 C1x C 19.9948 -19.8301
29 C1b C 22.4022 -22.6439
30 N1y N 23.6332 -21.9473
31 C1x C 24.8739 -22.6775
32 C1x C 26.0921 -21.9877
33 N1y N 26.1038 -20.5877
34 C1x C 24.8632 -19.8575
35 C1x C 23.6449 -20.5474
36 C8y C 27.3301 -19.8934
37 C8x C 28.5084 -20.5870
38 C8y C 29.7267 -19.8973
39 C8y C 29.7385 -18.4973
40 C8x C 28.5602 -17.8037
41 C8x C 27.2719 -18.4934
42 C1x C 31.0545 -20.3411
43 N1y N 31.8869 -19.2155
44 C5x C 31.0736 -18.0759
45 O5x O 31.5229 -16.7319
46 C1y C 33.3198 -19.2267
47 C5x C 34.0204 -20.4622
48 N1x N 35.4204 -20.4731
49 C5x C 36.1297 -19.2661
50 C1x C 35.4291 -18.0306
51 C1x C 34.0292 -18.0198
52 O5x O 33.3205 -21.6527
53 O5x O 37.5197 -19.2767
54 O1a O 16.6387 -12.8455
BOND 62
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 7 5 1 #Up
8 8 9 1
9 9 7 1
10 7 10 1
11 10 11 1
12 11 12 1
13 8 12 1
14 11 13 2
15 13 14 1
16 14 15 2
17 15 16 1
18 12 16 2
19 17 18 2
20 18 19 1
21 19 20 2
22 20 21 1
23 21 22 2
24 17 22 1
25 10 17 1 #Up
26 20 23 1
27 23 24 1
28 24 25 1
29 25 26 1
30 26 27 1
31 27 28 1
32 23 28 1
33 26 29 1
34 29 30 1
35 30 31 1
36 31 32 1
37 32 33 1
38 33 34 1
39 34 35 1
40 30 35 1
41 33 36 1
42 36 37 2
43 37 38 1
44 38 39 2
45 39 40 1
46 40 41 2
47 36 41 1
48 38 42 1
49 42 43 1
50 43 44 1
51 39 44 1
52 44 45 2
53 46 43 1 #Up
54 46 47 1
55 47 48 1
56 48 49 1
57 49 50 1
58 50 51 1
59 46 51 1
60 47 52 2
61 49 53 2
62 15 54 1
|
|---|
