Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR5367)
Drug Name
Fedratinib
Synonyms TG101348
Indication Chronic myelogenous leukaemia [ICD11: 2A20] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 524.7 Topological Polar Surface Area 117
Heavy Atom Count 37 Rotatable Bond Count 11
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 9
Cross-matching ID
PubChem CID
16722836
ChEBI ID
CHEBI:91408
CAS Number
936091-26-8
TTD Drug ID
D0G8BM
Formula
C27H36N6O3S
Canonical SMILES
CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4
InChI
InChI=1S/C27H36N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31)
InChIKey
JOOXLOJCABQBSG-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Fedratinib Metabolite M10 DM018322 N. A. Unclear - Unclear 1 [5]
Fedratinib Metabolite M14 DM016152
53486825
Unclear - Unclear 1 [5]
Fedratinib Metabolite M16 DM018324 N. A. Unclear - Unclear 1 [5]
Fedratinib Metabolite M4 DM018314 N. A. Unclear - Unclear 1 [5]
SAR317753 DM018323 N. A. Unclear - Unclear 1 [5]
SAR317793 DM018320 N. A. Unclear - Unclear 1 [5]
SAR317981 DM018317 N. A. Unclear - Unclear 1 [5]
Fedratinib Metabolite M14 DM016152
53486825
Unclear - Unclear 2 [5]
Fedratinib Metabolite M17 DM018315 N. A. Unclear - Unclear 2 [5]
Fedratinib Metabolite M20a DM018321 N. A. Unclear - Unclear 2 [5]
Fedratinib Metabolite M5 DM018319 N. A. Unclear - Unclear 2 [5]
Fedratinib Metabolite M7 DM018318 N. A. Unclear - Unclear 2 [5]
Fedratinib Metabolite M21b DM018316 N. A. Unclear - Unclear 3 [5]
⏷ Show the Full List of 13  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR010289 Fedratinib Fedratinib Metabolite M4 Unclear - Unclear Unclear [5]
MR010292 Fedratinib SAR317981 Unclear - Unclear Unclear [5]
MR010296 Fedratinib SAR317793 Unclear - Unclear Unclear [5]
MR010298 Fedratinib Fedratinib Metabolite M10 Unclear - Unclear Unclear [5]
MR010299 Fedratinib SAR317753 Unclear - Unclear Unclear [5]
MR010300 Fedratinib Fedratinib Metabolite M14 Unclear - Unclear Unclear [5]
MR010301 Fedratinib Fedratinib Metabolite M16 Unclear - Unclear Unclear [5]
MR010290 Fedratinib Metabolite M4 Fedratinib Metabolite M17 Unclear - Unclear Unclear [5]
MR010297 SAR317793 Fedratinib Metabolite M20a Unclear - Unclear Unclear [5]
MR010293 SAR317981 Fedratinib Metabolite M7 Unclear - Unclear Unclear [5]
MR010294 SAR317981 Fedratinib Metabolite M5 Unclear - Unclear Unclear [5]
MR010295 SAR317981 Fedratinib Metabolite M14 Unclear - Unclear Unclear [5]
MR010291 Fedratinib Metabolite M17 Fedratinib Metabolite M21b Unclear - Unclear Unclear [5]
⏷ Show the Full List of 13 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2] , [3]
Mephenytoin 4-hydroxylase (CYP2C19) DME0021 Homo sapiens
CP2CJ_HUMAN
1.14.14.1
[4]
References
1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2019
2 Effects of strong and moderate CYP3A4 inducers on the pharmacokinetics of fedratinib in healthy adult participants
3 In vivo Pharmacokinetic Drug-Drug Interaction Studies Between Fedratinib and Antifungal Agents Based on a Newly Developed and Validated UPLC/MS-MS Method Front Pharmacol. 2021 Feb 5;11:626897. doi: 10.3389/fphar.2020.626897.
4 Effect of fluconazole on the pharmacokinetics of a single dose of fedratinib in healthy adults. Cancer Chemother Pharmacol. 2022 Oct;90(4):325-334. doi: 10.1007/s00280-022-04464-w.
5 A Comprehensive Overview of Globally Approved JAK Inhibitors

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