| Entry |
|
|---|
| Name |
Rilzabrutinib (JAN/USAN/INN) |
|---|
| Formula |
C36H40FN9O3
|
|---|
| Exact mass |
665.3238
|
|---|
| Mol weight |
665.76
|
|---|
| Structure |
|
|---|
| Class |
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG02022 BTK inhibitor
|
|---|
| Efficacy |
Anti-inflammatory disease, Autoimmune disease treatment |
|---|
| Comment |
Treatment of autoimmune and inflammatory diseases
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04662 | B cell receptor signaling pathway |
| hsa04664 | Fc epsilon RI signaling pathway |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG02022 BTK inhibitor
D11873 Rilzabrutinib
Target-based classification of drugs [BR:br08310]
Protein kinases
Non-receptor tyrosine kinases
TEC family
BTK
D11873 Rilzabrutinib (JAN/USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 49
1 C8x C 12.5300 -18.6200
2 N5x N 12.5300 -20.0200
3 C8y C 13.7200 -20.7200
4 C8y C 14.9800 -20.0200
5 C8y C 14.9800 -18.6200
6 N5x N 13.7200 -17.9200
7 N1a N 13.7200 -22.1200
8 C8y C 16.3100 -20.4400
9 N5x N 17.0800 -19.3200
10 N4y N 16.3100 -18.2000
11 C8y C 17.5000 -21.1400
12 C8x C 17.5000 -22.5400
13 C8x C 18.7600 -23.2400
14 C8y C 19.9500 -22.5400
15 C8x C 19.9500 -21.1400
16 C8y C 18.7600 -20.4400
17 O2a O 21.1400 -23.2400
18 C8y C 22.3300 -22.5400
19 C8x C 23.5200 -23.2400
20 C8x C 24.7800 -22.5400
21 C8x C 24.7800 -21.1400
22 C8x C 23.5900 -20.4400
23 C8x C 22.3300 -21.1400
24 C1y C 16.8000 -16.8700
25 C1x C 18.2000 -16.5900
26 N1y N 18.6200 -15.2600
27 C1x C 17.7100 -14.2100
28 C1x C 16.3100 -14.4900
29 C1x C 15.8200 -15.8200
30 C5a C 19.8100 -14.5600
31 C2c C 21.0000 -15.2600
32 O5a O 19.8100 -13.1600
33 C2b C 22.1900 -14.5600
34 X F 18.7600 -19.0400
35 C3b C 21.0000 -16.6600
36 N3a N 21.0000 -18.0600
37 C1d C 23.3800 -15.2600
38 N1y N 24.5700 -14.5600
39 C1x C 24.5700 -13.1600
40 C1x C 25.7600 -12.4600
41 N1y N 27.0200 -13.1600
42 C1x C 27.0200 -14.5600
43 C1x C 25.8300 -15.2600
44 C1y C 28.2100 -12.4600
45 C1x C 28.5600 -11.1300
46 O2x O 29.8900 -11.4800
47 C1x C 29.5400 -12.7400
48 C1a C 24.0800 -16.4500
49 C1a C 22.6800 -16.4500
BOND 55
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 2
10 9 10 1
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 14 17 1
20 17 18 1
21 18 19 2
22 19 20 1
23 20 21 2
24 21 22 1
25 22 23 2
26 18 23 1
27 24 10 1 #Down
28 24 25 1
29 25 26 1
30 26 27 1
31 27 28 1
32 28 29 1
33 24 29 1
34 30 31 1
35 30 26 1
36 30 32 2
37 31 33 2
38 16 34 1
39 31 35 1
40 35 36 3
41 33 37 1
42 37 38 1
43 38 39 1
44 39 40 1
45 40 41 1
46 41 42 1
47 42 43 1
48 38 43 1
49 41 44 1
50 44 45 1
51 45 46 1
52 46 47 1
53 44 47 1
54 37 48 1
55 37 49 1
|
|---|
