| Entry |
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| Name |
Acalabrutinib maleate (USAN) |
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| Formula |
C26H23N7O2. C4H4O4
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| Exact mass |
581.2023
|
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| Mol weight |
581.5787
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| Structure |
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| Class |
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG02022 BTK inhibitor
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
|
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| Remark |
| Product (DG03089): | D10893<JP/US> |
|
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| Efficacy |
Antineoplastic, Bruton's tyrosine kinase inhibitor |
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| Target |
|
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| Pathway |
| hsa04662 | B cell receptor signaling pathway |
|
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| Metabolism |
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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
L01EL02 Acalabrutinib
D11720 Acalabrutinib maleate (USAN)
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG02022 BTK inhibitor
DG03089 Acalabrutinib
D11720 Acalabrutinib maleate
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG03089 Acalabrutinib
D11720 Acalabrutinib maleate
Target-based classification of drugs [BR:br08310]
Protein kinases
Non-receptor tyrosine kinases
TEC family
BTK
D11720 Acalabrutinib maleate (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D11720
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG02022 BTK inhibitor
DG03089 Acalabrutinib
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG03089 Acalabrutinib
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 43
1 C8x C 11.9416 -14.8746
2 N5x N 11.9416 -16.2713
3 C8y C 13.1288 -16.9696
4 C8y C 14.3858 -16.2713
5 N4y N 14.3858 -14.8746
6 C8x C 13.1288 -14.1763
7 N1a N 13.1288 -18.3663
8 C8y C 15.7126 -16.6903
9 N5x N 16.4808 -15.5730
10 C8y C 15.7126 -14.4556
11 C8y C 16.8998 -17.3886
12 C8x C 16.8998 -18.7853
13 C8x C 18.1568 -19.4836
14 C8y C 19.3439 -18.7853
15 C8x C 19.3439 -17.3886
16 C8x C 18.1568 -16.6903
17 C1y C 16.2015 -13.1288
18 N1y N 17.5981 -12.7098
19 C1x C 17.5981 -11.3131
20 C1x C 16.2713 -10.8243
21 C1x C 15.4333 -11.9416
22 C5a C 18.7853 -13.4081
23 C3b C 19.9724 -12.7098
24 O5a O 18.7853 -14.8048
25 C3b C 21.2294 -12.0115
26 C1a C 22.4166 -11.3131
27 C5a C 20.5311 -19.4836
28 N1b N 21.7183 -18.7853
29 O5a O 20.5311 -20.8803
30 C8y C 22.9054 -19.4138
31 C8x C 22.9054 -20.8803
32 C8x C 24.0926 -21.5786
33 C8x C 25.3496 -20.8104
34 C8x C 25.3496 -19.4138
35 N5x N 24.0926 -18.7155
36 O6a O 27.1600 -15.2600
37 C6a C 28.5600 -15.2600
38 O6a O 29.2600 -16.4724
39 C2b C 29.2600 -14.0476
40 C2b C 30.6598 -14.0476
41 C6a C 31.3696 -15.2768
42 O6a O 32.7599 -15.2766
43 O6a O 30.6746 -16.4807
BOND 46
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 2
7 3 7 1
8 4 8 2
9 8 9 1
10 9 10 2
11 5 10 1
12 8 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 11 16 1
19 17 10 1 #Down
20 17 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 17 21 1
25 18 22 1
26 22 23 1
27 22 24 2
28 23 25 3
29 25 26 1
30 14 27 1
31 27 28 1
32 27 29 2
33 28 30 1
34 30 31 2
35 31 32 1
36 32 33 2
37 33 34 1
38 34 35 2
39 30 35 1
40 36 37 1
41 37 38 2
42 37 39 1
43 39 40 2
44 40 41 1
45 41 42 2
46 41 43 1
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