| Entry |
|
|---|
| Name |
Docirbrutinib (USAN/INN) |
|---|
| Formula |
C33H31FN6O3
|
|---|
| Exact mass |
578.2442
|
|---|
| Mol weight |
578.63
|
|---|
| Structure |
|
|---|
| Class |
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG02022 BTK inhibitor
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic, Bruton's tyrosine kinase inhibitor |
|---|
| Comment |
Treatment of B-cell malignancies
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04662 | B cell receptor signaling pathway |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG02022 BTK inhibitor
DG03356 Docirbrutinib
D13142 Docirbrutinib
Target-based classification of drugs [BR:br08310]
Protein kinases
Non-receptor tyrosine kinases
TEC family
BTK
D13142 Docirbrutinib (USAN/INN)
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG02022 BTK inhibitor
DG03356 Docirbrutinib
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 43
1 C8y C 14.7700 -13.1600
2 N5x N 14.7700 -14.5600
3 C8y C 15.9600 -15.2600
4 C8y C 17.2200 -14.5600
5 C8y C 17.2200 -13.1600
6 N5x N 15.9600 -12.4600
7 C8x C 18.5500 -14.9800
8 C8y C 19.3900 -13.8600
9 N4x N 18.5500 -12.7400
10 C8y C 15.9600 -16.6600
11 N1a N 13.5800 -12.4600
12 C8y C 14.7700 -17.3600
13 C8y C 14.7700 -18.7600
14 C8x C 15.9600 -19.4600
15 C8x C 17.1500 -18.7600
16 C8x C 17.1500 -17.3600
17 C1b C 13.5800 -16.6600
18 N4y N 13.5800 -19.4600
19 C8y C 12.3900 -18.7600
20 C8y C 11.1300 -19.4600
21 C8y C 11.1300 -20.8600
22 C8x C 12.3200 -21.5600
23 C8x C 13.5800 -20.8600
24 C8y C 9.9400 -18.7600
25 C8x C 8.7500 -19.4600
26 C8y C 8.7500 -20.8600
27 C8x C 9.9400 -21.5600
28 X F 9.9400 -17.3600
29 O5x O 12.3900 -17.3600
30 O1a O 13.5800 -15.2600
31 C1y C 7.5600 -21.5600
32 C1x C 6.1600 -21.5600
33 C1x C 6.8600 -22.7500
34 C2y C 20.7900 -13.8600
35 C1x C 21.4900 -15.0724
36 C1x C 22.8900 -15.0724
37 N1y N 23.5900 -13.8600
38 C1x C 22.8900 -12.6476
39 C2x C 21.4900 -12.6476
40 C1y C 24.9900 -13.8600
41 C1x C 25.9799 -14.8499
42 O2x O 26.9699 -13.8600
43 C1x C 25.9799 -12.8701
BOND 50
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 5 9 1
11 3 10 1
12 1 11 1
13 10 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 10 16 1
19 12 17 1
20 13 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 21 22 1
25 22 23 2
26 18 23 1
27 20 24 2
28 24 25 1
29 25 26 2
30 26 27 1
31 21 27 2
32 24 28 1
33 19 29 2
34 17 30 1
35 26 31 1
36 32 31 1
37 31 33 1
38 33 32 1
39 8 34 1
40 34 35 1
41 35 36 1
42 36 37 1
43 37 38 1
44 38 39 1
45 34 39 2
46 37 40 1
47 40 41 1
48 41 42 1
49 42 43 1
50 40 43 1
|
|---|
