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

General Information of Drug (ID: DR3115)
Drug Name
LMP400
Synonyms
INDOTECAN; 915303-09-2; UNII-BTA69L5M8D; NSC-724998; BTA69L5M8D; 2,3-dimethoxy-6-(3-morpholinopropyl)-5H-[1,3]dioxolo[4',5':5,6]indeno[1,2-c]isoquinoline-5,12(6H)-dione; LMP-400; NSC724998; Indotecan(LMP400); Indotecan (LMP400); CHEMBL216462; SCHEMBL7712572; DTXSID90238613; BCP34018; EX-A3020; Indotecan hydrochloride (LMP-400); ZB1545; SB16793; HY-18351; CS-0007476; LMP400; LMP-400; LMP 400; Q27274872; 3-[(Morpholine)-1-propyl]-5,3-dimethoxy-8,9-meth ylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline
Indication Lymphoma [ICD11: 2A80-2A86] Phase 1 [1]
Neoplasm [ICD11: ICD11: 2A00-2F9Z] Phase 1 [2]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 478.5 Topological Polar Surface Area 86.8
Heavy Atom Count 35 Rotatable Bond Count 6
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 8
Cross-matching ID
PubChem CID
11533060
CAS Number
915303-09-2
TTD Drug ID
DV3WF1
Formula
C26H26N2O7
Canonical SMILES
COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCN6CCOCC6)OC
InChI
InChI=1S/C26H26N2O7/c1-31-19-10-15-18(13-20(19)32-2)26(30)28(5-3-4-27-6-8-33-9-7-27)24-16-11-21-22(35-14-34-21)12-17(16)25(29)23(15)24/h10-13H,3-9,14H2,1-2H3
InChIKey
FMFIFGLHVOZDEL-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
LMP400 Metabolite M1 DM019860 N. A. Oxidation - O-dealkylation 1 [3]
LMP400 Metabolite M2 DM019861 N. A. Oxidation - O-dealkylation 1 [3]
LMP400 Metabolite M3 DM019857 N. A. Oxidation - Demethylenation 1 [3]
LMP400 Metabolite M6 DM019862 N. A. Reduction - Ketone reduction 1 [3]
LMP400 Metabolite M4 DM019858 N. A. Conjugation - Alkylation 2 [3]
LMP400 Metabolite M5 DM019859 N. A. Conjugation - Alkylation 2 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR012601 LMP400 LMP400 Metabolite M3 Oxidation - Demethylenation Unclear [3]
MR012604 LMP400 LMP400 Metabolite M1 Oxidation - O-dealkylation CYP [3]
MR012605 LMP400 LMP400 Metabolite M2 Oxidation - O-dealkylation CYP [3]
MR012606 LMP400 LMP400 Metabolite M6 Reduction - Ketone reduction Unclear [3]
MR012602 LMP400 Metabolite M3 LMP400 Metabolite M4 Conjugation - Alkylation Unclear [3]
MR012603 LMP400 Metabolite M3 LMP400 Metabolite M5 Conjugation - Alkylation Unclear [3]
⏷ Show the Full List of 6 MR(s)
References
1 ClinicalTrials.gov (NCT01794104) Indenoisoquinoline LMP400 for Advanced Solid Tumors and Lymphomas. U.S. National Institutes of Health.
2 ClinicalTrials.gov (NCT01794104) Indenoisoquinoline LMP400 for Advanced Solid Tumors and Lymphomas. U.S. National Institutes of Health.
3 Identification, synthesis, and biological evaluation of metabolites of the experimental cancer treatment drugs indotecan (LMP400) and indimitecan (LMP776) and investigation of isomerically hydroxylated indenoisoquinoline analogues as topoisomerase I poisons

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