| Entry |
|
|---|
| Name |
Pralsetinib hydrate (JAN) |
|---|
| Formula |
C27H32FN9O2. H2O
|
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| Exact mass |
551.2769
|
|---|
| Mol weight |
551.62
|
|---|
| Structure |
|
|---|
| Class |
Antineoplastic
DG01918 Tyrosine kinase inhibitor
|
|---|
| Remark |
| Product (DG03223): | D11712<US> |
|
|---|
| Efficacy |
Antineoplastic, Tyrosine kinase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
| hsa05230 | Central carbon metabolism in cancer |
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01E PROTEIN KINASE INHIBITORS
L01EX Other protein kinase inhibitors
L01EX23 Pralsetinib
D12354 Pralsetinib hydrate (JAN)
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG03223 Pralsetinib
D12354 Pralsetinib hydrate
Target-based classification of drugs [BR:br08310]
Protein kinases
Receptor tyrosine kinases (RTK)
RET family
RET* [HSA_VAR:5979v1]
D12354 Pralsetinib hydrate (JAN)
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG03223 Pralsetinib
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 40
1 C8y C 25.8960 -15.6352
2 N5x N 25.8960 -14.2392
3 C8x C 24.7094 -13.5412
4 C8y C 23.4530 -14.2392
5 C8x C 23.4530 -15.6352
6 C8x C 24.7094 -16.3332
7 N4y N 27.0826 -16.3332
8 C8x C 27.0826 -17.7292
9 C8y C 28.3390 -18.2178
10 C8x C 29.2464 -17.1010
11 N5x N 28.4088 -15.9842
12 X F 28.7578 -19.5440
13 C1c C 22.2664 -13.5412
14 N1b N 21.0798 -14.2392
15 C1a C 22.2664 -12.0754
16 C5a C 19.8932 -13.5412
17 C1z C 18.7066 -14.2392
18 O5a O 19.8932 -12.0754
19 C1x C 17.5200 -13.5412
20 C1x C 16.2636 -14.2392
21 C1y C 16.2636 -15.6352
22 C1x C 17.4502 -16.3332
23 C1x C 18.7066 -15.6352
24 O2a O 18.7066 -12.7734
25 C1a C 17.5200 -12.0754
26 C8y C 15.0770 -16.3332
27 N5x N 13.8206 -15.6352
28 C8y C 12.5642 -16.3332
29 C8x C 12.5642 -17.7292
30 C8y C 13.7508 -18.4272
31 N5x N 15.0770 -17.7292
32 C1a C 13.7508 -19.8232
33 N1b N 11.3776 -15.6352
34 C8y C 10.1910 -16.3332
35 N5x N 8.8648 -15.9144
36 N4x N 8.0272 -17.0312
37 C8y C 8.8648 -18.1480
38 C8x C 10.1910 -17.7292
39 C1a C 8.4460 -19.4044
40 O0 O 21.8400 -19.8100
BOND 43
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 1 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 7 11 1
13 9 12 1
14 4 13 1
15 13 14 1
16 13 15 1 #Up
17 14 16 1
18 16 17 1
19 16 18 2
20 17 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 22 23 1
25 17 23 1
26 17 24 1 #Down
27 24 25 1
28 21 26 1 #Down
29 26 27 2
30 27 28 1
31 28 29 2
32 29 30 1
33 30 31 2
34 26 31 1
35 30 32 1
36 28 33 1
37 33 34 1
38 34 35 2
39 35 36 1
40 36 37 1
41 37 38 2
42 34 38 1
43 37 39 1
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