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

General Information of Drug (ID: DR0772)
Drug Name
Gilteritinib
Synonyms
Gilteritinib; Gilteritinib (ASP2215); Gilteritinib [USAN:INN]; Xospata; 1254053-43-4; 2-Pyrazinecarboxamide, 6-ethyl-3-((3-methoxy-4-(4-(4-methyl-1-piperazinyl)-1-piperidinyl)phenyl)amino)-5-((tetrahydro-2H-pyran-4-yl)amino)-; 6-Ethyl-3-((3-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)-amino)-5-((tetrahydro-2H-pyran-4-yl)amino)pyrazine-2-carboxamide; 66D92MGC8M; ASP 2215; ASP-2215; ASP2215; UNII-66D92MGC8M
Indication Acute myeloid leukaemia [ICD11: 2A60] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 552.7 Topological Polar Surface Area 121
Heavy Atom Count 40 Rotatable Bond Count 9
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 10
Cross-matching ID
PubChem CID
49803313
ChEBI ID
CHEBI:145372
CAS Number
1254053-43-4
TTD Drug ID
D04KZY
Formula
C29H44N8O3
Canonical SMILES
CCC1=NC(=C(N=C1NC2CCOCC2)NC3=CC(=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC)C(=O)N
InChI
1S/C29H44N8O3/c1-4-23-28(31-20-9-17-40-18-10-20)34-29(26(33-23)27(30)38)32-21-5-6-24(25(19-21)39-3)37-11-7-22(8-12-37)36-15-13-35(2)14-16-36/h5-6,19-20,22H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34)
InChIKey
GYQYAJJFPNQOOW-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
Gilteritinib metabolite M10 DM002115 N. A. Oxidation - N-dealkylation 1 [4]
Gilteritinib metabolite M14 DM019989 N. A. Unclear 1 [4]
Gilteritinib metabolite M16 DM002113 N. A. Oxidation - N-dealkylation 1 [4]
Gilteritinib metabolite M17 DM002114 N. A. Oxidation - N-dealkylation 1 [4]
Gilteritinib metabolite M8 DM019990 N. A. Unclear 1 [4]
Gilteritinib metabolite M9 DM019991 N. A. Unclear 1 [4]
Gilteritinib metabolite M7 DM019987 N. A. Unclear 2 [4]
Gilteritinib metabolite M2 DM019988 N. A. Unclear 3 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR003439 Gilteritinib Gilteritinib metabolite M10 Oxidation - N-dealkylation Unclear [4]
MR003442 Gilteritinib Gilteritinib metabolite M16 Oxidation - N-dealkylation Unclear [4]
MR003443 Gilteritinib Gilteritinib metabolite M14 Unclear Unclear [4]
MR003444 Gilteritinib Gilteritinib metabolite M8 Unclear Unclear [4]
MR003445 Gilteritinib Gilteritinib metabolite M17 Oxidation - N-dealkylation Unclear [4]
MR003446 Gilteritinib Gilteritinib metabolite M9 Unclear Unclear [4]
MR003440 Gilteritinib metabolite M10 Gilteritinib metabolite M7 Unclear Unclear [4]
MR003441 Gilteritinib metabolite M7 Gilteritinib metabolite M2 Unclear Unclear [4]
⏷ Show the Full List of 8 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]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[3]
References
1 Gilteritinib was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 ClinicalTrials.gov (NCT02456883) Study to Investigate the Absorption, Metabolism and Excretion of [14C] ASP2215 in Patients With Advanced Solid Tumors.
3 Itraconazole-Induced Increases in Gilteritinib Exposure Are Mediated by CYP3A and OATP1B
4 Pharmacokinetic Profile of Gilteritinib: A Novel FLT-3 Tyrosine Kinase Inhibitor Clin Pharmacokinet. 2020 Oct;59(10):1273-1290. doi: 10.1007/s40262-020-00888-w.

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