| Entry |
|
|---|
| Name |
Corubrutinib (USAN) |
|---|
| Formula |
C28H34N10O2
|
|---|
| Exact mass |
542.2866
|
|---|
| Mol weight |
542.64
|
|---|
| Structure |
|
|---|
| Class |
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG02022 BTK inhibitor
|
|---|
| Efficacy |
Bruton's tyrosine kinase inhibitor |
|---|
| Comment |
Treatment of multiple sclerosis
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04662 | B cell receptor signaling pathway |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG02022 BTK inhibitor
D13261 Corubrutinib
Target-based classification of drugs [BR:br08310]
Protein kinases
Non-receptor tyrosine kinases
TEC family
BTK
D13261 Corubrutinib (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 40
1 N1y N 16.3100 -22.4700
2 C1x C 15.6800 -21.2100
3 C1x C 16.3100 -19.9500
4 C1y C 17.6400 -19.6700
5 C1x C 17.6400 -22.7500
6 C8y C 18.7600 -20.5100
7 C8y C 18.7600 -21.9100
8 C1y C 15.4000 -23.5900
9 C1x C 14.0000 -23.7300
10 O2x O 14.2100 -25.1300
11 C1x C 15.6100 -24.9900
12 C8x C 19.9500 -22.6100
13 C8y C 21.2100 -21.9100
14 C8x C 21.2100 -20.5100
15 C8x C 19.9500 -19.8100
16 N1b N 17.9200 -18.2700
17 C5a C 19.3200 -17.8500
18 C8y C 19.6000 -16.4500
19 O5a O 20.3000 -18.7600
20 C8x C 20.8600 -15.8900
21 N4y N 20.7200 -14.5600
22 N5x N 19.3900 -14.2100
23 N5x N 18.6900 -15.4700
24 C8y C 22.4000 -22.5400
25 C8x C 22.4000 -23.9400
26 C8x C 23.5900 -24.6400
27 N5x N 24.7800 -23.9400
28 C8y C 24.7800 -22.5400
29 N5x N 23.5900 -21.8400
30 N1b N 26.0400 -21.8400
31 C8y C 27.2300 -22.5400
32 C8x C 27.3700 -23.9400
33 N4y N 28.7700 -24.2200
34 N5x N 29.4700 -23.0300
35 C8x C 28.4900 -21.9800
36 C1a C 29.3300 -25.4800
37 C1d C 21.7825 -13.6483
38 C1a C 22.7724 -12.6584
39 C1a C 22.7724 -14.6383
40 C1a C 20.7925 -12.6584
BOND 45
1 3 4 1
2 1 5 1
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 1 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 8 11 1
13 7 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 6 15 2
18 4 16 1 #Up
19 16 17 1
20 17 18 1
21 17 19 2
22 18 20 2
23 20 21 1
24 21 22 1
25 22 23 2
26 18 23 1
27 13 24 1
28 24 25 2
29 25 26 1
30 26 27 2
31 27 28 1
32 28 29 2
33 24 29 1
34 28 30 1
35 30 31 1
36 31 32 2
37 32 33 1
38 33 34 1
39 34 35 2
40 31 35 1
41 33 36 1
42 21 37 1
43 37 38 1
44 37 39 1
45 37 40 1
|
|---|
