| Entry |
|
|---|
| Name |
Dabrafenib (USAN) |
|---|
| Formula |
C23H20F3N5O2S2
|
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| Exact mass |
519.1011
|
|---|
| Mol weight |
519.5624
|
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| Structure |
|
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| Simcomp |
|
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| Class |
Antineoplastic
DG03159 BRAF inhibitor
Metabolizing enzyme substrate
DG02918 CYP2C8 substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
Metabolizing enzyme inducer
DG02886 CYP2C9 inducer
DG02853 CYP3A/CYP3A4 inducer
DG01635 CYP3A4 inducer
|
|---|
| Remark |
| Product (DG00721): | D10104<JP/US> |
|
|---|
| Efficacy |
Antineoplastic, BRAF kinase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Metabolism |
Enzyme: CYP3A4 [HSA: 1576], CYP2C8 [HSA: 1558]
|
|---|
| Interaction |
CYP induction: CYP3A4 [HSA: 1576], CYP2C9 [HSA: 1559]
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01E PROTEIN KINASE INHIBITORS
L01EC B-Raf serine-threonine kinase (BRAF) inhibitors
L01EC02 Dabrafenib
D10064 Dabrafenib (USAN)
Drug groups [BR:br08330]
Antineoplastic
DG03159 BRAF inhibitor
DG00721 Dabrafenib
D10064 Dabrafenib
Metabolizing enzyme substrate
DG02918 CYP2C8 substrate
DG00721 Dabrafenib
D10064 Dabrafenib
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00721 Dabrafenib
D10064 Dabrafenib
Metabolizing enzyme inducer
DG02886 CYP2C9 inducer
DG00721 Dabrafenib
D10064 Dabrafenib
DG02853 CYP3A/CYP3A4 inducer
DG01635 CYP3A4 inducer
DG00721 Dabrafenib
D10064 Dabrafenib
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
TKL group
BRAF
D10064 Dabrafenib (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D10064
Drug groups [BR:br08330]
Antineoplastic
DG03159 BRAF inhibitor
DG00721 Dabrafenib
Metabolizing enzyme substrate
DG02918 CYP2C8 substrate
DG00721 Dabrafenib
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00721 Dabrafenib
Metabolizing enzyme inducer
DG02886 CYP2C9 inducer
DG00721 Dabrafenib
DG02853 CYP3A/CYP3A4 inducer
DG01635 CYP3A4 inducer
DG00721 Dabrafenib
|
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| Other DBs |
|
|---|
| KCF data |
ATOM 35
1 C8y C 26.9500 -34.2300
2 C8y C 26.9500 -35.6300
3 C8x C 28.1624 -36.3300
4 C8x C 29.3749 -35.6300
5 C8x C 29.3749 -34.2300
6 C8y C 28.1624 -33.5300
7 X F 28.1624 -32.1302
8 X F 25.7376 -36.3300
9 S4a S 25.7376 -33.5300
10 N1b N 24.5421 -34.2204
11 C8y C 23.3547 -33.5349
12 C8x C 23.3546 -32.1302
13 C8x C 22.1421 -31.4303
14 C8x C 20.9297 -32.1304
15 C8y C 20.9298 -33.5351
16 C8y C 22.1423 -34.2350
17 X F 22.1424 -35.6298
18 C8y C 19.7198 -34.2339
19 N5x N 18.5913 -33.4297
20 C8y C 17.4817 -34.2554
21 S2x S 17.9241 -35.5658
22 C8y C 19.3071 -35.5500
23 C8y C 20.1516 -36.6862
24 C8x C 19.4315 -37.8755
25 C8x C 20.1072 -39.1017
26 N5x N 21.5069 -39.1296
27 C8y C 22.2263 -37.9391
28 N5x N 21.5506 -36.7130
29 C1d C 16.1552 -33.8409
30 C1a C 15.1487 -34.7675
31 C1a C 15.8425 -32.4488
32 C1a C 14.8029 -33.4785
33 N1a N 23.6597 -37.9677
34 O3c O 24.7477 -32.5401
35 O3c O 26.7275 -32.5401
BOND 38
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 6 7 1
8 2 8 1
9 1 9 1
10 9 10 1
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 14 15 1
16 15 16 2
17 11 16 1
18 16 17 1
19 15 18 1
20 18 19 1
21 19 20 2
22 20 21 1
23 21 22 1
24 18 22 2
25 22 23 1
26 23 24 1
27 24 25 2
28 25 26 1
29 26 27 2
30 27 28 1
31 23 28 2
32 20 29 1
33 29 30 1
34 29 31 1
35 29 32 1
36 27 33 1
37 9 34 2
38 9 35 2
|
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