| Entry |
|
|---|
| Name |
Atuzabrutinib (USAN/INN) |
|---|
| Formula |
C30H30FN7O2
|
|---|
| Exact mass |
539.2445
|
|---|
| Mol weight |
539.60
|
|---|
| Structure |
|
|---|
| Class |
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG02022 BTK inhibitor
|
|---|
| Efficacy |
Autoimmune disease treatment, Bruton's tyrosine kinase inhibitor |
|---|
| Comment |
Topical treatment of immune-mediated dermatological diseases (i.e. atopic dermatitis)
|
|---|
| 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
D12489 Atuzabrutinib
Target-based classification of drugs [BR:br08310]
Protein kinases
Non-receptor tyrosine kinases
TEC family
BTK
D12489 Atuzabrutinib (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 40
1 O2a O 15.9779 -21.2060
2 C8y C 15.2723 -20.0193
3 C8x C 15.9666 -18.8260
4 C8y C 15.2607 -17.5693
5 C8y C 13.8607 -17.5760
6 C8x C 13.1663 -18.7693
7 C8x C 13.8723 -20.0259
8 X F 15.9550 -16.3760
9 C8y C 13.1551 -16.3893
10 N5x N 13.9897 -15.2653
11 N4y N 13.1445 -14.1493
12 C8y C 11.8165 -14.5756
13 C8y C 11.8231 -15.9756
14 N5x N 10.6232 -13.8812
15 C8x C 9.3665 -14.5872
16 N5x N 9.3728 -15.9172
17 C8y C 10.6361 -16.6112
18 N1a N 10.6427 -18.0112
19 C1y C 13.8388 -12.9560
20 C1x C 15.2388 -12.9494
21 N1y N 15.9328 -11.6861
22 C1x C 15.2272 -10.4994
23 C1x C 13.8272 -10.5060
24 C1x C 13.1329 -11.6993
25 C5a C 17.3326 -11.6622
26 O5a O 18.0047 -10.4512
27 C2c C 18.0609 -12.8753
28 C2b C 17.3804 -14.1019
29 C3b C 19.4384 -12.8516
30 C1d C 18.1217 -15.3373
31 C1a C 17.4508 -16.5455
32 C1a C 19.5200 -15.3139
33 C1a C 18.8274 -16.5464
34 C8y C 17.3600 -21.1995
35 C8x C 18.0703 -22.4165
36 C8x C 19.4702 -22.4098
37 C8x C 20.1645 -21.1941
38 C8x C 19.4542 -19.9772
39 C8x C 18.0542 -19.9838
40 N3a N 20.8384 -12.8516
BOND 44
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 6 7 2
7 2 7 1
8 4 8 1
9 5 9 1
10 9 10 2
11 10 11 1
12 11 12 1
13 12 13 1
14 9 13 1
15 12 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 13 17 2
20 17 18 1
21 19 11 1 #Down
22 19 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 23 24 1
27 19 24 1
28 21 25 1
29 25 26 2
30 25 27 1
31 27 28 2
32 27 29 1
33 28 30 1
34 30 31 1
35 30 32 1
36 30 33 1
37 1 34 1
38 34 35 2
39 35 36 1
40 36 37 2
41 37 38 1
42 38 39 2
43 34 39 1
44 29 40 3
|
|---|
