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

General Information of Drug (ID: DR2642)
Drug Name
MN-1695
Synonyms Gaslon N; Irsogladine malate; Irsogladine maleate; MN-1695
Indication Gastric ulcer [ICD11: DA60] Phase 1 [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 372.16 Topological Polar Surface Area 165
Heavy Atom Count 24 Rotatable Bond Count 3
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 9
Cross-matching ID
PubChem CID
5282435
ChEBI ID
CHEBI:31721
CAS Number
84504-69-8
TTD Drug ID
D04MRQ
Formula
C13H11Cl2N5O4
Canonical SMILES
C1=CC(=C(C=C1Cl)C2=NC(=NC(=N2)N)N)Cl.C(=CC(=O)O)C(=O)O
InChI
1S/C9H7Cl2N5.C4H4O4/c10-4-1-2-6(11)5(3-4)7-14-8(12)16-9(13)15-7;5-3(6)1-2-4(7)8/h1-3H,(H4,12,13,14,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey
PJLVTVAIERNDEQ-BTJKTKAUSA-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
ISG-N-oxide DM003516 N. A. Oxidation - N-oxidation 1 [2]
ISG-OH DM003517 N. A. Oxidation - Hydrolyzationn 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR003965 MN-1695 ISG-N-oxide Oxidation - N-oxidation CYP2C9 ... [2]
MR003966 MN-1695 ISG-OH Oxidation - Hydrolyzationn Unclear [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2C11 (Cyp2c11) DMEN126 Rattus norvegicus
CP2CB_RAT
1.14.14.1
[2]
Cytochrome P450 2C9 (CYP2C9) DME0019 Homo sapiens
CP2C9_HUMAN
1.14.14.1
[2]
Unclear metabolic mechanism (DME-unclear) DME1391 Bifidobacterium ruminatum Not Available Not Available [3]
References
1 ClinicalTrials.gov (NCT02759224) A Study to Compare the Pharmacokinetics of Lafutidine and Irsogladine Maleate Tablet
2 N-oxidation of irsogladine by the CYP2C subfamily in the rat, dog, monkey and man
3 Mapping human microbiome drug metabolism by gut bacteria and their genes. Nature. 2019 Jun;570(7762):462-467.

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