| Entry |
|
|---|
| Name |
Tirabrutinib (USAN/INN) |
|---|
| Formula |
C25H22N6O3
|
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| Exact mass |
454.1753
|
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| Mol weight |
454.48
|
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| Structure |
|
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| Class |
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG02022 BTK inhibitor
|
|---|
| Remark |
| Product (DG03266): | D11070<JP> |
|
|---|
| Efficacy |
Antineoplastic, Bruton's tyrosine kinase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
| hsa04662 | B cell receptor signaling pathway |
| hsa04664 | Fc epsilon RI signaling pathway |
|
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| Interaction |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01E PROTEIN KINASE INHIBITORS
L01EL Bruton's tyrosine kinase (BTK) inhibitors
L01EL06 Tirabrutinib
D12594 Tirabrutinib (USAN/INN)
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG02022 BTK inhibitor
DG03266 Tirabrutinib
D12594 Tirabrutinib
Target-based classification of drugs [BR:br08310]
Protein kinases
Non-receptor tyrosine kinases
TEC family
BTK
D12594 Tirabrutinib (USAN/INN)
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG02022 BTK inhibitor
DG03266 Tirabrutinib
|
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| Other DBs |
|
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| LinkDB |
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| KCF data |
ATOM 34
1 C8x C 12.5189 -16.5042
2 N5x N 12.5189 -17.9028
3 C8y C 13.7078 -18.6022
4 C8y C 14.9666 -17.9028
5 C8y C 14.9666 -16.5042
6 N5x N 13.7078 -15.8048
7 N1a N 13.7078 -20.0008
8 N4y N 16.2953 -18.3224
9 C8y C 17.0646 -17.2035
10 N4y N 16.2953 -16.0846
11 O5x O 18.4632 -17.2035
12 C1y C 16.7848 -14.7558
13 C1x C 18.1136 -14.3362
14 N1y N 18.1136 -12.9376
15 C1x C 16.7848 -12.4481
16 C1x C 15.9456 -13.5670
17 C5a C 19.3024 -12.2383
18 C3b C 20.4913 -12.9376
19 O5a O 19.3024 -10.8396
20 C3b C 21.6801 -13.6369
21 C1a C 22.9389 -14.3362
22 C8y C 17.4842 -19.0218
23 C8x C 17.4842 -20.4204
24 C8x C 18.6730 -21.1197
25 C8y C 19.9318 -20.4204
26 C8x C 19.9318 -19.0218
27 C8x C 18.6730 -18.3224
28 O2a O 21.1207 -21.1197
29 C8y C 22.3095 -20.4204
30 C8x C 23.4984 -21.1197
31 C8x C 24.7572 -20.4204
32 C8x C 24.7572 -19.0218
33 C8x C 23.5683 -18.3224
34 C8x C 22.3095 -19.0218
BOND 38
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 3 7 1
8 4 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 2
13 12 10 1 #Down
14 12 13 1
15 13 14 1
16 14 15 1
17 15 16 1
18 12 16 1
19 17 18 1
20 17 14 1
21 17 19 2
22 18 20 3
23 20 21 1
24 22 23 2
25 23 24 1
26 24 25 2
27 25 26 1
28 26 27 2
29 25 28 1
30 28 29 1
31 29 30 2
32 30 31 1
33 31 32 2
34 32 33 1
35 33 34 2
36 29 34 1
37 27 22 1
38 22 8 1
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