| Entry |
|
|---|
| Name |
Dubermatinib (USAN/INN) |
|---|
| Formula |
C24H30ClN7O2S
|
|---|
| Exact mass |
515.1870
|
|---|
| Mol weight |
516.06
|
|---|
| Structure |
|
|---|
| Class |
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic, Receptor tyrosine kinase inhibitor |
|---|
| Target |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
DG03093 Dubermatinib
D11732 Dubermatinib
Target-based classification of drugs [BR:br08310]
Protein kinases
Receptor tyrosine kinases (RTK)
AXL family
AXL
D11732 Dubermatinib (USAN/INN)
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
DG03093 Dubermatinib
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 35
1 N1y N 24.7800 -18.0600
2 C1x C 24.7800 -19.4600
3 C1x C 23.5900 -20.1600
4 N1y N 22.3300 -19.4600
5 C1x C 22.3300 -18.0600
6 C1x C 23.5900 -17.3600
7 C1a C 25.9700 -17.3600
8 C1b C 21.1400 -20.1600
9 C8y C 19.9500 -19.4600
10 C8x C 18.7600 -20.1600
11 C8x C 17.5000 -19.4600
12 C8y C 17.5000 -18.0600
13 C8x C 18.6900 -17.3600
14 C8x C 19.9500 -18.0600
15 N1b N 16.3100 -17.3600
16 C8y C 15.1200 -18.0600
17 N5x N 15.1200 -19.4600
18 C8x C 13.8600 -20.1600
19 C8y C 12.6700 -19.4600
20 C8y C 12.6700 -18.0600
21 N5x N 13.8600 -17.3600
22 X Cl 11.4800 -17.3600
23 N1b N 11.4800 -20.1600
24 C8y C 10.2900 -19.4600
25 C8x C 10.2900 -18.0600
26 C8x C 9.0300 -17.3600
27 C8x C 7.8400 -18.0600
28 C8x C 7.8400 -19.4600
29 C8y C 9.0300 -20.1600
30 S4a S 9.0300 -21.5600
31 O3c O 7.6300 -21.5600
32 O3c O 10.4300 -21.5600
33 N1c N 9.0300 -22.9600
34 C1a C 7.8400 -23.6600
35 C1a C 10.2200 -23.6600
BOND 38
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 1 7 1
8 4 8 1
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 9 14 1
16 12 15 1
17 15 16 1
18 16 17 2
19 17 18 1
20 18 19 2
21 19 20 1
22 20 21 2
23 16 21 1
24 20 22 1
25 19 23 1
26 23 24 1
27 24 25 2
28 25 26 1
29 26 27 2
30 27 28 1
31 28 29 2
32 24 29 1
33 29 30 1
34 30 31 2
35 30 32 2
36 30 33 1
37 33 34 1
38 33 35 1
|
|---|
