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

General Information of Drug (ID: DR0923)
Drug Name
Lenvatinib mesylate
Synonyms
Lenvatinib mesilate; Lenvatinib mesilate (JAN); Lenvatinib mesylate (USAN); Lenvatinib mesylate [USAN]; Lenvima (TN); SB16581; SCHEMBL865174; 3J78384F61; 857890-39-2; AC-30100; AK543419; BCP11858; CHEBI:85995; CHEMBL2105704; D09920; DS-19245; DTXSID90235081; KS-00000TO1; MFCD18633219; N-(4-((6-Carbamoyl-7-methoxyquinolin-4-yl)oxy)-2-chlorophenyl)-N'-cyclopropylurea monomethanesulfonate; UNII-3J78384F61; E7080Mesylate; LENVATINIB MESYLATE
Indication Thyroid cancer [ICD11: 2D10] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 523 Topological Polar Surface Area 178
Heavy Atom Count 35 Rotatable Bond Count 6
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 8
Cross-matching ID
PubChem CID
11237762
ChEBI ID
CHEBI:85995
CAS Number
857890-39-2
TTD Drug ID
D03KSK
Formula
C22H23ClN4O7S
Canonical SMILES
COC1=CC2=NC=CC(=C2C=C1C(=O)N)OC3=CC(=C(C=C3)NC(=O)NC4CC4)Cl.CS(=O)(=O)O
InChI
1S/C21H19ClN4O4.CH4O3S/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11;1-5(2,3)4/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28);1H3,(H,2,3,4)
InChIKey
HWLFIUUAYLEFCT-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
Lenvatinib mesylate metabolite M30 DM000237
22936749
Hydrolysis - Hydrolysis 1 [4]
Lenvatinib mesylate metabolite M32 DM000233
22936472
Hydrolysis - Hydrolysis 1 [4]
Lenvatinib N-oxide DM000236
101562919
Oxidation - N-Oxidation 1 [4]
N-descyclopropyl lenvatinib DM000235
22936448
Oxidation - Dealkylation 1 [4]
O-demethyl Lenvatinib DM000230
135566046
Oxidation - Dealkylation 1 [4]
Unclear DM009999 N. A. Unclear 1 [2]
Unclear DM009999 N. A. Unclear 1 [3]
Lenvatinib mesylate metabolite H DM000232 N. A. Conjugation - Glucuronidation 2 [4]
Lenvatinib mesylate metabolite M2' DM000231
165429039
Oxidation - Oxidation 2 [4]
Lenvatinib mesylate metabolite M29 DM000234 N. A. Oxidation - Oxidation 2 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR001437 Lenvatinib mesylate Lenvatinib mesylate metabolite M2 Oxidation - Dealkylation Unclear [4]
MR001438 Lenvatinib mesylate Lenvatinib mesylate metabolite M32 Hydrolysis - Hydrolysis Unclear [4]
MR001439 Lenvatinib mesylate Lenvatinib mesylate metabolite M1 Oxidation - Dealkylation Unclear [4]
MR001440 Lenvatinib mesylate Lenvatinib mesylate metabolite M3 Oxidation - N-Oxidation Unclear [4]
MR001441 Lenvatinib mesylate Lenvatinib mesylate metabolite M30 Hydrolysis - Hydrolysis Unclear [4]
MR001442 Lenvatinib mesylate . Unclear CYP3A4 [3]
MR001434 Lenvatinib mesylate metabolite M2 Lenvatinib mesylate metabolite M2' Oxidation - Oxidation Unclear [4]
MR001435 Lenvatinib mesylate metabolite M2 Lenvatinib mesylate metabolite H Conjugation - Glucuronidation Unclear [4]
MR001436 Lenvatinib mesylate metabolite M32 Lenvatinib mesylate metabolite M29 Oxidation - Oxidation Unclear [4]
⏷ Show the Full List of 9 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Aldehyde oxidase (AOX1) DME0052 Homo sapiens
AOXA_HUMAN
1.2.3.1
[2]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[3]
References
1 Lenvatinib Mesylate was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 LABEL:LENVIMA- lenvatinib capsule
3 Influence of CYP3A4/5 and ABC transporter polymorphisms on lenvatinib plasma trough concentrations in Japanese patients with thyroid cancer. Sci Rep. 2019 Apr 1;9(1):5404.
4 Metabolite profiling of the multiple tyrosine kinase inhibitor lenvatinib: a cross-species comparison Invest New Drugs. 2016 Jun;34(3):300-18. doi: 10.1007/s10637-016-0342-y.

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