| Entry |
|
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| Name |
Fedratinib hydrochloride (USAN);
Fedratinib hydrochloride hydrate (JAN);
Fedratinib dihydrochloride monohydrate;
Inrebic (TN) |
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| Product |
|
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| Formula |
C27H36N6O3S. 2HCl. H2O
|
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| Exact mass |
614.2209
|
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| Mol weight |
615.6153
|
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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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| Disease |
|
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| Comment |
Treatment of intermediate-2 or high-risk primary or secondary (post-polycythemia vera or post-essential thrombocythemia) myelofibrosis (MF)
|
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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
D11296 Fedratinib hydrochloride (USAN) <US>
USP drug classification [BR:br08302]
Antineoplastics
Molecular Target Inhibitors
Fedratinib
D11296 Fedratinib hydrochloride (USAN)
Drug groups [BR:br08330]
Anti-inflammatory
DG01985 Disease modifying anti-rheumatic drug (DMARD)
DG02020 JAK inhibitor
DG02968 Fedratinib
D11296 Fedratinib hydrochloride
Metabolizing enzyme substrate
DG01639 CYP2C19 substrate
DG02968 Fedratinib
D11296 Fedratinib hydrochloride
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG02968 Fedratinib
D11296 Fedratinib hydrochloride
Unclassified
DG03306 FMO substrate
DG02950 FMO3 substrate
DG02968 Fedratinib
D11296 Fedratinib hydrochloride
Drug classes [BR:br08332]
Immunological agent
DG02020 JAK inhibitor
D11296 Fedratinib hydrochloride
Antirheumatic agent
DG01985 Disease modifying anti-rheumatic drug (DMARD)
D11296 Fedratinib hydrochloride
Target-based classification of drugs [BR:br08310]
Protein kinases
Non-receptor tyrosine kinases
JAK family
JAK2
D11296 Fedratinib hydrochloride (USAN) <US>
New drug approvals in the USA [br08319.html]
New molecular entities and new therapeutic biological products
D11296
New drug approvals in the USA, Europe and Japan [br08328.html]
Approval dates by FDA, EMA and PMDA
D11296
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D11296
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 40
1 C8y C 13.2056 -18.4458
2 C8x C 13.2056 -19.8432
3 C8x C 14.4633 -20.5419
4 C8x C 15.6511 -19.8432
5 C8y C 15.6511 -18.4458
6 C8x C 14.4633 -17.7471
7 N1b N 16.8389 -17.7471
8 S4a S 12.0178 -17.7471
9 N1b N 10.8300 -17.0484
10 O3c O 11.3191 -18.9349
11 O3c O 12.7165 -16.5593
12 C8y C 16.8389 -16.3497
13 N5x N 18.0966 -15.6510
14 C8y C 18.0966 -14.2536
15 N5x N 16.8389 -13.5549
16 C8x C 15.6511 -14.2536
17 C8y C 15.6511 -15.6510
18 C1a C 14.4633 -16.3497
19 N1b N 19.2844 -13.5549
20 C8y C 20.4722 -14.2536
21 C8x C 20.4722 -15.6510
22 C8x C 21.6600 -16.3497
23 C8y C 22.9176 -15.6510
24 C8x C 22.9176 -14.2536
25 C8x C 21.6600 -13.5549
26 O2a O 24.1054 -16.3497
27 C1b C 25.2932 -15.6510
28 C1b C 25.2932 -14.2536
29 C1d C 9.6422 -16.2798
30 C1a C 10.2711 -15.2318
31 C1a C 8.4544 -15.5811
32 C1a C 8.9435 -17.5375
33 N1y N 26.5509 -13.5549
34 C1x C 27.8784 -14.1138
35 C1x C 28.8566 -13.0658
36 C1x C 28.0880 -11.8081
37 C1x C 26.6906 -12.0876
38 X Cl 28.2100 -20.7200
39 X Cl 28.2100 -19.0400
40 O0 O 28.7000 -16.5900
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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