| Entry |
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|---|
| Name |
Dubermatinib tartrate (USAN) |
|---|
| Formula |
C24H30ClN7O2S. (C4H6O6)2
|
|---|
| Exact mass |
815.2199
|
|---|
| Mol weight |
816.23
|
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| 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
D11733 Dubermatinib tartrate
Target-based classification of drugs [BR:br08310]
Protein kinases
Receptor tyrosine kinases (RTK)
AXL family
AXL
D11733 Dubermatinib tartrate (USAN)
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
DG03093 Dubermatinib
|
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| Other DBs |
|
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| LinkDB |
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| KCF data |
ATOM 55
1 N1y N 26.2829 -12.6170
2 C1x C 26.2829 -14.0187
3 C1x C 25.0914 -14.7195
4 N1y N 23.8298 -14.0187
5 C1x C 23.8298 -12.6170
6 C1x C 25.0914 -11.9161
7 C1a C 27.4743 -11.9161
8 C1b C 22.6384 -14.7195
9 C8y C 21.4469 -14.0187
10 C8x C 20.2554 -14.7195
11 C8x C 18.9939 -14.0187
12 C8y C 18.9939 -12.6170
13 C8x C 20.1854 -11.9161
14 C8x C 21.4469 -12.6170
15 N1b N 17.8024 -11.9161
16 C8y C 16.6110 -12.6170
17 N5x N 16.6110 -14.0187
18 C8x C 15.3494 -14.7195
19 C8y C 14.1579 -14.0187
20 C8y C 14.1579 -12.6170
21 N5x N 15.3494 -11.9161
22 X Cl 12.9665 -11.9161
23 N1b N 12.9665 -14.7195
24 C8y C 11.7750 -14.0187
25 C8x C 11.7750 -12.6170
26 C8x C 10.5134 -11.9161
27 C8x C 9.3219 -12.6170
28 C8x C 9.3219 -14.0187
29 C8y C 10.5134 -14.7195
30 S4a S 10.5134 -16.1213
31 O3c O 9.1117 -16.1213
32 O3c O 11.9151 -16.1213
33 N1c N 10.5134 -17.5230
34 C1a C 9.3219 -18.2239
35 C1a C 11.7048 -18.2239
36 C6a C 23.4014 -18.4276
37 C1c C 24.6149 -19.1282
38 O6a O 22.1879 -19.1282
39 C1c C 25.8114 -18.4372
40 O1a O 24.6150 -20.5293
41 C6a C 26.9999 -19.1233
42 O6a O 28.1922 -18.4347
43 O6a O 27.0001 -20.5293
44 O6a O 23.4014 -17.0263
45 O1a O 25.8115 -17.0266
46 C6a C 23.4014 -18.4276
47 C1c C 24.6149 -19.1282
48 C1c C 25.8114 -18.4372
49 C6a C 26.9999 -19.1233
50 O6a O 28.1922 -18.4347
51 O6a O 27.0001 -20.5293
52 O1a O 25.8115 -17.0266
53 O1a O 24.6150 -20.5293
54 O6a O 22.1879 -19.1282
55 O6a O 23.4014 -17.0263
BOND 56
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
39 36 37 1
40 36 38 1
41 37 39 1
42 37 40 1 #Up
43 39 41 1
44 41 42 1
45 41 43 2
46 36 44 2
47 39 45 1 #Up
48 46 47 1
49 46 54 1
50 47 48 1
51 47 53 1 #Up
52 48 49 1
53 49 50 1
54 49 51 2
55 46 55 2
56 48 52 1 #Up
BRACKET 1 20.5100 -21.2100 20.5100 -15.9600
1 29.7500 -15.9600 29.7500 -21.2100
1 2
ORIGINAL 1 36 37 39 41 42 43 45 40 38 44
REPEAT 1 46 47 48 49 50 51 52 53 54 55
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