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

General Information of Drug (ID: DR1793)
Drug Name
LF-08-0299
Synonyms
LF 08-0299; LF-08-0299; SCHEMBL385624; Tresperimus; Tresperimus [INN:BAN]; ZINC3806041; (4-((3-Aminopropyl)amino)butyl)carbamic acid, ester with N-(6-guanidinohexyl)glycolamide; (4-((3-aminopropyl)amino)butyl)-2-((6-((aminoiminomethyl)amino)hexyl)amino)-2-oxoethyl carbamic acid ester; 160677-67-8; 286F595V8H; AC1MJ6LW; CHEMBL98034; Carbamic acid, (4-((3-aminopropyl)amino)butyl)-, 2-((6-((aminoiminomethyl)amino)hexyl)amino)-2-oxoethyl ester; DTXSID50166968; UNII-286F595V8H
Indication Diabetes mellitus [ICD11: 5A10] Discontinued [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 387.5 Topological Polar Surface Area 170
Heavy Atom Count 27 Rotatable Bond Count 18
Hydrogen Bond Donor Count 6 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
3086680
CAS Number
160677-67-8
TTD Drug ID
D0K0ZB
Formula
C17H37N7O3
Canonical SMILES
C(=N)(NCCCCCCNC(=O)COC(=O)NCCCCNCCCN)N
InChI
1S/C17H37N7O3/c18-8-7-10-21-9-5-6-13-24-17(26)27-14-15(25)22-11-3-1-2-4-12-23-16(19)20/h21H,1-14,18H2,(H,22,25)(H,24,26)(H4,19,20,23)
InChIKey
LVBMFPUTQOHXQE-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
LF-08-0299 M1 DM006913 N. A. Unclear 1 [2]
LF-08-0299 M6 DM006917 N. A. Hydrolysis - Hydrolysis 1 [2]
LF-08-0299 M7 DM006919 N. A. Hydrolysis - Hydrolysis 1 [2]
LF-08-0299 M2 DM006920 N. A. Unclear 2 [3]
LF-08-0299 M3 DM006914 N. A. Oxidation - Deamination 2 [3]
LF-08-0299 M4 DM006915
154731592
Unclear 3 [2]
LF-08-0299 M6 DM006917 N. A. Oxidation - Deamination 3 [3]
LF-08-0299 M7 DM006919 N. A. Unclear 3 [2]
LF-08-0299 M5 DM006916
154731636
Unclear 4 [2]
LF-08-0299 M8 DM006918
81176
Unclear 4 [2]
LF-08-0299 M8 DM006918
81176
Oxidation - Deamination 4 [3]
⏷ Show the Full List of 11  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007524 LF-08-0299 LF-08-0299 M1 Unclear AOC2 [2]
MR007533 LF-08-0299 LF-08-0299 M6 Hydrolysis - Hydrolysis Unclear [2]
MR007534 LF-08-0299 LF-08-0299 M7 Hydrolysis - Hydrolysis Unclear [2]
MR007525 LF-08-0299 M1 LF-08-0299 M3 Oxidation - Deamination Unclear [3]
MR007532 LF-08-0299 M1 LF-08-0299 M2 Unclear Unclear [3]
MR007526 LF-08-0299 M3 LF-08-0299 M4 Unclear Unclear [2]
MR007528 LF-08-0299 M3 LF-08-0299 M6 Oxidation - Deamination Unclear [3]
MR007530 LF-08-0299 M3 LF-08-0299 M7 Unclear ALDH [2]
MR007527 LF-08-0299 M4 LF-08-0299 M5 Unclear Unclear [2]
MR007529 LF-08-0299 M6 LF-08-0299 M8 Oxidation - Deamination AOC2 [3]
MR007531 LF-08-0299 M7 LF-08-0299 M8 Unclear AOC2 [2]
⏷ Show the Full List of 11 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Aldehyde dehydrogenase (ALDH) DMEN076 . Not Available Not Available [2]
Copper amine oxidase (AOC3) DME0405 Homo sapiens
AOC3_HUMAN
1.4.3.21
[2]
References
1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800004804)
2 Metabolism of tresperimus by rat aorta semicarbazide-sensitive amine oxidase (SSAO). Fundam Clin Pharmacol. 2002 Dec;16(6):461-70.
3 Involvement of semicarbazide-sensitive amine oxidase in tresperimus metabolism in human and in rat

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