| Entry |
|
|---|
| Name |
Zelebrudomide (USAN) |
|---|
| Formula |
C39H45N9O5
|
|---|
| Exact mass |
719.3544
|
|---|
| Mol weight |
719.83
|
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| Structure |
|
|---|
| Class |
Antineoplastic
DG03350 Thalidomide derivative
|
|---|
| Efficacy |
Antineoplastic, Bruton's tyrosine kinase degrader |
|---|
| Target |
|
|---|
| Pathway |
| hsa04662 | B cell receptor signaling pathway |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG03350 Thalidomide derivative
D12858 Zelebrudomide
Target-based classification of drugs [BR:br08310]
Protein kinases
Non-receptor tyrosine kinases
TEC family
BTK
D12858 Zelebrudomide (USAN)
Not elsewhere classified
Genetic information processing
Transcription factor
IKZF1/3
D12858 Zelebrudomide (USAN)
|
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| Other DBs |
|
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| LinkDB |
|
|---|
| KCF data |
ATOM 53
1 C8y C 22.7500 -26.5300
2 C8x C 22.7500 -27.9300
3 C8x C 23.9400 -28.6300
4 C8y C 25.2000 -27.9300
5 C8y C 25.2000 -26.5300
6 C8x C 23.9400 -25.8300
7 C5x C 26.5300 -28.3500
8 N1y N 27.3000 -27.2300
9 C5x C 26.5300 -26.1100
10 C1y C 28.7000 -27.2300
11 C1x C 29.4000 -28.4200
12 C1x C 30.8000 -28.4200
13 C5x C 31.5000 -27.2300
14 N1x N 30.8000 -26.0400
15 C5x C 29.4000 -26.0400
16 O5x O 26.9500 -24.7800
17 O5x O 26.9500 -29.6800
18 O5x O 28.7000 -24.8500
19 O5x O 32.9000 -27.2300
20 N1y N 21.5600 -25.8300
21 C1x C 21.3500 -24.4300
22 C1x C 20.0200 -24.1500
23 C1y C 19.3200 -25.3400
24 C1x C 20.2300 -26.3900
25 C1b C 17.9200 -25.5500
26 N1y N 17.3888 -26.8453
27 C1x C 15.9688 -27.0366
28 C1x C 15.4369 -28.3316
29 C1y C 16.2925 -29.4397
30 C1x C 17.7125 -29.2485
31 C1x C 18.2443 -27.9534
32 C8y C 15.7522 -30.7541
33 C8x C 14.3659 -30.9403
34 C8x C 13.8336 -32.2352
35 C8y C 14.6888 -33.3436
36 C8x C 16.0751 -33.1573
37 C8x C 16.6074 -31.8625
38 N1b N 14.1665 -34.6144
39 C8y C 12.7665 -34.6144
40 N5x N 12.0451 -33.3646
41 C8y C 10.6451 -33.3644
42 C8x C 9.9450 -34.5768
43 N5x N 10.6663 -35.8265
44 C8y C 12.0663 -35.8267
45 C5a C 12.7652 -37.0376
46 N1a N 14.1400 -37.0376
47 O5a O 12.0622 -38.2550
48 N1y N 9.9549 -32.1691
49 C1x C 10.6378 -30.9863
50 C1x C 9.9378 -29.7739
51 C1x C 8.5378 -29.7739
52 C1x C 7.8549 -30.9566
53 C1x C 8.5549 -32.1691
BOND 60
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 4 7 1
8 7 8 1
9 8 9 1
10 5 9 1
11 8 10 1
12 10 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 14 15 1
17 10 15 1
18 9 16 2
19 7 17 2
20 15 18 2
21 13 19 2
22 1 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 23 24 1
27 20 24 1
28 23 25 1 #Up
29 25 26 1
30 26 27 1
31 27 28 1
32 28 29 1
33 29 30 1
34 30 31 1
35 26 31 1
36 29 32 1
37 32 33 2
38 33 34 1
39 34 35 2
40 35 36 1
41 36 37 2
42 32 37 1
43 35 38 1
44 38 39 1
45 39 40 2
46 40 41 1
47 41 42 2
48 42 43 1
49 43 44 2
50 39 44 1
51 44 45 1
52 45 46 1
53 45 47 2
54 41 48 1
55 48 49 1
56 49 50 1
57 50 51 1
58 51 52 1
59 52 53 1
60 48 53 1
|
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