| Entry |
|
|---|
| Name |
Luxeptinib (USAN) |
|---|
| Formula |
C25H17F4N5O2
|
|---|
| Exact mass |
495.1318
|
|---|
| Mol weight |
495.43
|
|---|
| Structure |
|
|---|
| Efficacy |
Antineoplastic, Bruton's tyrosine kinase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
| hsa04662 | B cell receptor signaling pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Protein kinases
Non-receptor tyrosine kinases
TEC family
BTK
D12052 Luxeptinib (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 36
1 C8y C 39.5500 -25.4100
2 C8y C 39.5500 -26.8100
3 C8x C 40.7624 -27.5100
4 C8y C 41.9749 -26.8100
5 C8x C 41.9749 -25.4100
6 C8y C 40.7624 -24.7100
7 N1b N 38.3376 -24.7100
8 C5a C 37.1421 -25.4004
9 N1b N 35.9547 -24.7149
10 C8y C 34.7635 -25.4029
11 O5a O 37.1420 -26.8097
12 X F 38.3376 -27.5100
13 X F 40.7624 -23.3102
14 X F 43.2060 -27.5210
15 C8x C 33.5740 -24.7162
16 C8x C 32.3616 -25.4162
17 C8y C 32.3616 -26.8162
18 C8y C 33.5511 -27.5029
19 C8x C 34.7635 -26.8029
20 C8y C 31.1359 -27.5242
21 C8y C 29.9279 -26.8270
22 C8y C 28.7156 -27.5271
23 C8y C 28.7157 -28.9271
24 C8x C 29.9237 -29.6243
25 C8x C 31.1360 -28.9242
26 X F 33.5513 -28.9098
27 C8y C 27.4992 -29.6298
28 N4x N 26.2220 -29.0613
29 C8x C 25.2867 -30.1004
30 C8y C 25.9859 -31.3110
31 N5x N 27.3533 -31.0201
32 C1x C 29.6367 -25.4576
33 N1x N 28.2443 -25.3114
34 C5x C 27.6750 -26.5904
35 O5x O 26.2798 -26.8871
36 C1a C 25.4217 -32.5782
BOND 40
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 1
10 9 10 1
11 8 11 2
12 2 12 1
13 6 13 1
14 4 14 1
15 10 15 2
16 15 16 1
17 16 17 2
18 17 18 1
19 18 19 2
20 10 19 1
21 17 20 1
22 20 21 2
23 21 22 1
24 22 23 2
25 23 24 1
26 24 25 2
27 20 25 1
28 18 26 1
29 23 27 1
30 27 28 1
31 28 29 1
32 29 30 2
33 30 31 1
34 27 31 2
35 21 32 1
36 32 33 1
37 33 34 1
38 22 34 1
39 34 35 2
40 30 36 1
|
|---|
