| Entry |
|
|---|
| Name |
Vecabrutinib succinate (USAN) |
|---|
| Formula |
C22H24ClF4N7O2. C4H6O4
|
|---|
| Exact mass |
647.1882
|
|---|
| Mol weight |
648.00
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG02022 BTK inhibitor
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic, Bruton's tyrosine kinase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
| hsa04662 | B cell receptor signaling pathway |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG02022 BTK inhibitor
DG03023 Vecabrutinib
D11502 Vecabrutinib succinate
Target-based classification of drugs [BR:br08310]
Protein kinases
Non-receptor tyrosine kinases
TEC family
BTK
D11502 Vecabrutinib succinate (USAN)
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG02022 BTK inhibitor
DG03023 Vecabrutinib
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 44
1 C8y C 24.7005 -13.7147
2 N5x N 24.7005 -15.1142
3 C8x C 23.5110 -15.8139
4 N5x N 22.2515 -15.1142
5 C8y C 22.2515 -13.7147
6 C8y C 23.5110 -13.0150
7 N1y N 21.0619 -13.0150
8 C1x C 19.8724 -13.7147
9 C1y C 18.6129 -13.0150
10 C1y C 18.6129 -11.6155
11 C1x C 19.8024 -10.9158
12 C1x C 21.0619 -11.6155
13 N1y N 17.4233 -13.7147
14 C5x C 17.4233 -15.1142
15 C1y C 16.1638 -15.8139
16 C1x C 14.9743 -15.1142
17 C1x C 14.9743 -13.7147
18 C1x C 16.1638 -13.0150
19 O5x O 18.6129 -15.8139
20 N1b N 16.1638 -17.2134
21 C8y C 14.9743 -17.9131
22 C8x C 14.9743 -19.3126
23 C8y C 13.7147 -20.0123
24 C8x C 12.5252 -19.3126
25 C8y C 12.5252 -17.9131
26 C8x C 13.7147 -17.2134
27 X Cl 11.3356 -17.2134
28 C1d C 13.7147 -21.4118
29 X F 12.3153 -21.4118
30 X F 15.1142 -21.4118
31 X F 13.7147 -22.8112
32 X F 23.5110 -11.6155
33 N1a N 25.8901 -13.0150
34 C5a C 17.4233 -10.9158
35 N1a N 16.2338 -11.6155
36 O5a O 17.4233 -9.5163
37 C6a C 22.1200 -20.5800
38 C1b C 23.3324 -21.2800
39 O6a O 20.9076 -21.2800
40 O6a O 22.1200 -19.1800
41 C1b C 24.5279 -20.5896
42 C6a C 25.7153 -21.2751
43 O6a O 26.9065 -20.5871
44 O6a O 25.7155 -22.6798
BOND 46
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 5 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 7 12 1
14 9 13 1 #Down
15 13 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 13 18 1
21 14 19 2
22 15 20 1 #Down
23 20 21 1
24 21 22 2
25 22 23 1
26 23 24 2
27 24 25 1
28 25 26 2
29 21 26 1
30 25 27 1
31 23 28 1
32 28 29 1
33 28 30 1
34 28 31 1
35 6 32 1
36 1 33 1
37 10 34 1 #Up
38 34 35 1
39 34 36 2
40 37 38 1
41 37 39 1
42 37 40 2
43 38 41 1
44 41 42 1
45 42 43 1
46 42 44 2
|
|---|
