| Entry |
|
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| Name |
Fedratinib (USAN/INN) |
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| Formula |
C27H36N6O3S
|
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| Exact mass |
524.257
|
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| Mol weight |
524.6781
|
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| Structure |
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| Simcomp |
|
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| Class |
Anti-inflammatory
DG01985 Disease modifying anti-rheumatic drug (DMARD)
DG02020 JAK inhibitor
Metabolizing enzyme substrate
DG01639 CYP2C19 substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
Unclassified
DG03306 FMO substrate
DG02950 FMO3 substrate
|
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| Remark |
| Product (DG02968): | D11296<US> |
|
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| Efficacy |
Antineoplastic, Janus kinase (JAK) inhibitor |
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| Target |
|
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| Pathway |
|
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| Metabolism |
Enzyme: CYP3A4 [HSA: 1576], CYP2C19 [HSA: 1557], FMO3 [HSA: 2328]
|
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| Interaction |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01E PROTEIN KINASE INHIBITORS
L01EJ Janus-associated kinase (JAK) inhibitors
L01EJ02 Fedratinib
D10630 Fedratinib (USAN/INN)
Drug groups [BR:br08330]
Anti-inflammatory
DG01985 Disease modifying anti-rheumatic drug (DMARD)
DG02020 JAK inhibitor
DG02968 Fedratinib
D10630 Fedratinib
Metabolizing enzyme substrate
DG01639 CYP2C19 substrate
DG02968 Fedratinib
D10630 Fedratinib
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG02968 Fedratinib
D10630 Fedratinib
Unclassified
DG03306 FMO substrate
DG02950 FMO3 substrate
DG02968 Fedratinib
D10630 Fedratinib
Target-based classification of drugs [BR:br08310]
Protein kinases
Non-receptor tyrosine kinases
JAK family
JAK2
D10630 Fedratinib (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D10630
Drug groups [BR:br08330]
Anti-inflammatory
DG01985 Disease modifying anti-rheumatic drug (DMARD)
DG02020 JAK inhibitor
DG02968 Fedratinib
Metabolizing enzyme substrate
DG01639 CYP2C19 substrate
DG02968 Fedratinib
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG02968 Fedratinib
Unclassified
DG03306 FMO substrate
DG02950 FMO3 substrate
DG02968 Fedratinib
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 37
1 C8y C 13.1882 -18.5864
2 C8x C 13.1882 -19.9592
3 C8x C 14.3769 -20.6455
4 C8x C 15.5659 -19.9592
5 C8y C 15.5659 -18.5864
6 C8x C 14.3769 -17.9000
7 N1b N 16.7547 -17.9000
8 S4a S 11.9993 -17.9000
9 N1b N 10.8105 -17.2136
10 O3c O 11.3130 -19.0888
11 O3c O 12.6857 -16.7111
12 C8y C 16.7547 -16.5273
13 N5x N 17.9455 -15.8397
14 C8y C 17.9455 -14.4669
15 N5x N 16.7566 -13.7806
16 C8x C 15.5659 -14.4681
17 C8y C 15.5659 -15.8408
18 C1a C 14.3769 -16.5273
19 N1b N 19.1344 -13.7806
20 C8y C 20.3232 -14.4669
21 C8x C 20.3232 -15.8408
22 C8x C 21.5121 -16.5273
23 C8y C 22.7010 -15.8408
24 C8x C 22.7010 -14.4669
25 C8x C 21.5121 -13.7806
26 O2a O 23.8897 -16.5273
27 C1b C 25.0786 -15.8408
28 C1b C 25.0786 -14.4681
29 C1d C 9.6217 -16.4573
30 C1a C 10.2375 -15.4084
31 C1a C 8.5027 -15.7708
32 C1a C 8.9217 -17.6697
33 N1y N 26.2911 -13.7681
34 C1x C 27.6024 -14.3517
35 C1x C 28.5627 -13.2849
36 C1x C 27.8448 -12.0419
37 C1x C 26.4409 -12.3406
BOND 40
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 5 7 1
8 1 8 1
9 8 9 1
10 8 10 2
11 8 11 2
12 7 12 1
13 12 13 2
14 13 14 1
15 14 15 2
16 15 16 1
17 16 17 2
18 12 17 1
19 17 18 1
20 14 19 1
21 19 20 1
22 20 21 2
23 21 22 1
24 22 23 2
25 23 24 1
26 24 25 2
27 20 25 1
28 23 26 1
29 26 27 1
30 27 28 1
31 9 29 1
32 29 30 1
33 29 31 1
34 29 32 1
35 28 33 1
36 33 34 1
37 34 35 1
38 35 36 1
39 36 37 1
40 33 37 1
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