| Entry |
|
|---|
| Name |
Elsubrutinib (USAN/INN) |
|---|
| Formula |
C17H19N3O2
|
|---|
| Exact mass |
297.1477
|
|---|
| Mol weight |
297.35
|
|---|
| Structure |
|
|---|
| Class |
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG02022 BTK inhibitor
|
|---|
| Efficacy |
Autoimmune disease treatment, Bruton's tyrosine kinase inhibitor |
|---|
| Comment |
Treatment of rheumatoid arthiritis and systemic lupus erythematosus
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04662 | B cell receptor signaling pathway |
| hsa04664 | Fc epsilon RI signaling pathway |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG02022 BTK inhibitor
D12158 Elsubrutinib
Target-based classification of drugs [BR:br08310]
Protein kinases
Non-receptor tyrosine kinases
TEC family
BTK
D12158 Elsubrutinib (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 22
1 C8y C 16.0300 -20.1600
2 C8y C 16.0300 -21.5600
3 C8y C 17.2424 -22.2600
4 C8y C 18.4549 -21.5600
5 C8x C 18.4549 -20.1600
6 C8x C 17.2424 -19.4600
7 C5a C 19.6860 -22.2710
8 N1a N 20.8912 -21.5753
9 O5a O 19.6857 -23.6599
10 C8x C 14.9896 -22.4968
11 C8x C 15.5590 -23.7758
12 N4x N 16.9514 -23.6294
13 C1y C 14.8176 -19.4600
14 C1x C 14.8176 -18.0602
15 N1y N 13.6051 -17.3602
16 C1x C 12.3927 -18.0602
17 C1x C 12.3927 -19.4600
18 C1x C 13.6051 -20.1600
19 C5a C 13.6051 -15.9602
20 O5a O 14.7987 -15.2709
21 C2b C 12.3738 -15.2492
22 C2a C 11.1690 -15.9449
BOND 24
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 7 9 2
10 2 10 1
11 10 11 2
12 11 12 1
13 3 12 1
14 13 1 1 #Down
15 13 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 13 18 1
21 15 19 1
22 19 20 2
23 19 21 1
24 21 22 2
|
|---|
