| Entry |
|
|---|
| Name |
Fenebrutinib (USAN/INN) |
|---|
| Formula |
C37H44N8O4
|
|---|
| Exact mass |
664.3486
|
|---|
| Mol weight |
664.80
|
|---|
| Structure |
|
|---|
| Class |
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG02022 BTK inhibitor
|
|---|
| Efficacy |
Autoimmune disease treatment, Bruton's tyrosine kinase inhibitor |
|---|
| Comment |
Treatment of autoimmune diseases
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04662 | B cell receptor signaling pathway |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG02022 BTK inhibitor
D11457 Fenebrutinib
Target-based classification of drugs [BR:br08310]
Protein kinases
Non-receptor tyrosine kinases
TEC family
BTK
D11457 Fenebrutinib (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 49
1 N4y N 13.9300 -10.0100
2 C8y C 13.9300 -11.4100
3 C8y C 15.1424 -12.1100
4 C8x C 16.3549 -11.4100
5 C8y C 16.3549 -10.0100
6 C8x C 15.1424 -9.3100
7 O5x O 12.7176 -12.1100
8 C8y C 17.5860 -9.2990
9 C8y C 18.7912 -9.9947
10 C8y C 20.0035 -9.2946
11 N5x N 20.0035 -7.8946
12 C8x C 18.7983 -7.1989
13 C8x C 17.5859 -7.8990
14 N1y N 21.2351 -10.0054
15 C5x C 21.2353 -11.4098
16 C8y C 22.4479 -12.1096
17 N4y N 23.6602 -11.4093
18 C1x C 23.6599 -10.0050
19 C1x C 22.4474 -9.3052
20 C8x C 22.7392 -13.4789
21 C8y C 24.1316 -13.6250
22 C8y C 24.7008 -12.3460
23 C1x C 25.1721 -14.5616
24 C1z C 26.3845 -13.8614
25 C1x C 26.0931 -12.4920
26 C1a C 27.5969 -13.1614
27 C1a C 27.3744 -14.8514
28 O5x O 20.0041 -12.1212
29 C1b C 18.7916 -11.4096
30 O1a O 17.5531 -12.1195
31 N1b N 15.1424 -13.5098
32 C8y C 13.9132 -14.2196
33 N5x N 12.7093 -13.5246
34 C8x C 11.4968 -14.2246
35 C8y C 11.4968 -15.6246
36 C8x C 12.7008 -16.3196
37 C8x C 13.9132 -15.6196
38 N1y N 10.2783 -16.3282
39 C1x C 9.0668 -15.6289
40 C1x C 7.8544 -16.3290
41 N1y N 7.8545 -17.7290
42 C1x C 9.0660 -18.4283
43 C1y C 10.2784 -17.7282
44 C1y C 6.6397 -18.4306
45 C1x C 5.2920 -18.0695
46 O2x O 4.9310 -19.4172
47 C1x C 6.2786 -19.7782
48 C1a C 12.7176 -9.3100
49 C1a C 11.4915 -18.4286
BOND 56
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 2 7 2
8 5 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 8 13 1
15 10 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 14 19 1
22 16 20 2
23 20 21 1
24 21 22 2
25 17 22 1
26 21 23 1
27 23 24 1
28 24 25 1
29 22 25 1
30 24 26 1
31 24 27 1
32 15 28 2
33 9 29 1
34 29 30 1
35 3 31 1
36 31 32 1
37 32 33 2
38 33 34 1
39 34 35 2
40 35 36 1
41 36 37 2
42 32 37 1
43 35 38 1
44 38 39 1
45 39 40 1
46 40 41 1
47 41 42 1
48 42 43 1
49 38 43 1
50 41 44 1
51 44 45 1
52 45 46 1
53 46 47 1
54 44 47 1
55 1 48 1
56 43 49 1 #Up
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