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

General Information of Drug (ID: DR5747)
Drug Name
Cetraxate
Synonyms Neuer; NeuerCap; NeuerS; Cetraxate hydrochloride; DV-1006
Indication Peptic ulcer [ICD11: DA61] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 305.4 Topological Polar Surface Area 89.6
Heavy Atom Count 22 Rotatable Bond Count 7
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
2680
ChEBI ID
CHEBI:17340
CAS Number
34675-84-8
TTD Drug ID
D0V9ZG
Formula
C17H23NO4
Canonical SMILES
C1CC(CCC1CN)C(=O)OC2=CC=C(C=C2)CCC(=O)O
InChI
InChI=1S/C17H23NO4/c18-11-13-1-6-14(7-2-13)17(21)22-15-8-3-12(4-9-15)5-10-16(19)20/h3-4,8-9,13-14H,1-2,5-7,10-11,18H2,(H,19,20)
InChIKey
FHRSHSOEWXUORL-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
4-Hydroxybenzoic acid DM004023
135
Unclear - Unclear 1 [2]
Liquiritin metabolite M9 DM005503
10394
Hydrolysis - Hydrolysis 1 [2]
Tranexamic acid DM015046
65526
Hydrolysis - Hydrolysis 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR008829 Cetraxate Tranexamic acid Hydrolysis - Hydrolysis Unclear [2]
MR008830 Cetraxate PHPA Hydrolysis - Hydrolysis Unclear [2]
MR008831 Cetraxate PHBA Unclear - Unclear Unclear [2]
References
1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 [Pharmacokinetic and pharmacological studies on cetraxate, an anti-ulcer agent]

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