| Entry |
|
|---|
| Name |
Spebrutinib (USAN/INN) |
|---|
| Formula |
C22H22FN5O3
|
|---|
| Exact mass |
423.1707
|
|---|
| Mol weight |
423.44
|
|---|
| Structure |
|
|---|
| Class |
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG02022 BTK inhibitor
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic, Bruton's tyrosine kinase inhibitor |
|---|
| Comment |
Treatment of hematological malignancies and autoimmune diseases
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04662 | B cell receptor signaling pathway |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG02022 BTK inhibitor
DG01863 Spebrutinib
D10730 Spebrutinib
Target-based classification of drugs [BR:br08310]
Protein kinases
Non-receptor tyrosine kinases
TEC family
BTK
D10730 Spebrutinib (USAN/INN)
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG02022 BTK inhibitor
DG01863 Spebrutinib
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 31
1 C8x C 14.8630 -18.0192
2 C8y C 14.8630 -19.4214
3 C8x C 16.0774 -20.1225
4 C8x C 17.2918 -19.4214
5 C8y C 17.2918 -18.0192
6 C8x C 16.0774 -17.3181
7 C1b C 12.4343 -19.4214
8 O2a O 13.6487 -20.1225
9 O2a O 10.0056 -19.4214
10 C1b C 11.2199 -20.1225
11 C1a C 8.7912 -20.1225
12 N1b N 18.5062 -17.3181
13 C8y C 18.5062 -15.9158
14 N5x N 17.2918 -15.2147
15 N5x N 19.7205 -15.2147
16 C8y C 19.7205 -13.8125
17 C8y C 18.5062 -13.1114
18 C8x C 17.2918 -13.8125
19 C8x C 22.1493 -15.2147
20 C8y C 22.1493 -13.8125
21 N1b N 20.9349 -13.1114
22 C8x C 23.3636 -15.9158
23 C8x C 24.5780 -15.2147
24 C8y C 24.5780 -13.8125
25 C8x C 23.3636 -13.1114
26 O5a O 27.0068 -15.2147
27 C5a C 27.0068 -13.8125
28 N1b N 25.7924 -13.1114
29 C2a C 29.4355 -13.8125
30 C2b C 28.2212 -13.1114
31 X F 18.5062 -11.7091
BOND 33
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 7 8 1
8 2 8 1
9 9 10 1
10 7 10 1
11 9 11 1
12 5 12 1
13 12 13 1
14 13 14 2
15 13 15 1
16 15 16 2
17 16 17 1
18 17 18 2
19 14 18 1
20 19 20 1
21 20 21 1
22 16 21 1
23 19 22 2
24 22 23 1
25 23 24 2
26 24 25 1
27 20 25 2
28 26 27 2
29 27 28 1
30 24 28 1
31 29 30 2
32 27 30 1
33 17 31 1
|
|---|