| Entry |
|
|---|
| Name |
Branebrutinib (USAN) |
|---|
| Formula |
C20H23FN4O2
|
|---|
| Exact mass |
370.1805
|
|---|
| Mol weight |
370.42
|
|---|
| Structure |
|
|---|
| Class |
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG02022 BTK inhibitor
|
|---|
| Efficacy |
Antineoplastic, Autoimmune disease treatment, Bruton's tyrosine kinase inhibitor |
|---|
| Comment |
Treatment of autoimmune diseases and hematologic malignancies
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04662 | B cell receptor signaling pathway |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG02022 BTK inhibitor
D11478 Branebrutinib
Target-based classification of drugs [BR:br08310]
Protein kinases
Non-receptor tyrosine kinases
TEC family
BTK
D11478 Branebrutinib (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 27
1 C8x C 22.4700 -12.5300
2 C8y C 22.4700 -13.9300
3 C8y C 21.2800 -14.6300
4 C8y C 20.0200 -13.9300
5 C8y C 20.0200 -12.5300
6 C8y C 21.2800 -11.8300
7 C8y C 18.9649 -14.9120
8 C8y C 19.5728 -16.2190
9 N4x N 21.0036 -16.0447
10 C1a C 18.8905 -17.4469
11 C1a C 17.5954 -14.6445
12 C5a C 23.6853 -14.6251
13 N1a N 24.8737 -13.9323
14 O5a O 23.6911 -16.0297
15 X F 21.2972 -10.4301
16 N1y N 18.8134 -11.8200
17 C1x C 18.8250 -10.4300
18 C1x C 17.6185 -9.7199
19 C1x C 16.4002 -10.4097
20 C1y C 16.3886 -11.7997
21 C1x C 17.5952 -12.5098
22 N1b N 15.1509 -12.5002
23 C5a C 13.9353 -11.7840
24 C3b C 12.7231 -12.4695
25 O5a O 13.9480 -10.3601
26 C3b C 11.5107 -13.1695
27 C1a C 10.2982 -13.8695
BOND 29
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 2
9 8 9 1
10 3 9 1
11 8 10 1
12 7 11 1
13 2 12 1
14 12 13 1
15 12 14 2
16 6 15 1
17 5 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 16 21 1
24 20 22 1 #Up
25 22 23 1
26 23 24 1
27 23 25 2
28 24 26 3
29 26 27 1
|
|---|
