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

General Information of Drug (ID: DR2015)
Drug Name
Homogentisic acid
Synonyms
Homogenestic acid lactone; Homogentisic acid lactone; Homogentisic Acid gamma-Lactone; Homogentisic Acid?-Lactone; Homogentisic lactone; 2(3H)-Benzofuranone, 5-hydroxy-; 2,3-Dihydro-5-hydroxybenzofuran-2-one; 2688-48-4; 5-Hydroxy-2(3H)-benzofuranone; 5-Hydroxy-2-coumaranone; 5-Hydroxybenzofuran-2(3H)-one; 5-Hydroxybenzofuran-2-one; 5-hydroxy-1-benzofuran-2(3H)-one; 5-hydroxy-3-hydrobenzo[b]furan-2-one; 5-hydroxy-3H-1-benzofuran-2-one; A-Lactone; AC1L2PRA; AC1Q6ML0; EINECS 220-252-7; MLS002693363; NSC61996
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 150.13 Topological Polar Surface Area 46.5
Heavy Atom Count 11 Rotatable Bond Count 0
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
75898
ChEBI ID
CHEBI:141343
CAS Number
2688-48-4
Formula
C8H6O3
Canonical SMILES
C1C2=C(C=CC(=C2)O)OC1=O
InChI
1S/C8H6O3/c9-6-1-2-7-5(3-6)4-8(10)11-7/h1-3,9H,4H2
InChIKey
POUITAHNNRJWMA-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
Unclear DM009999 N. A. Hydrolysis - Hydrolysis 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007037 Homogentisic acid Unclear Hydrolysis - Hydrolysis PON1 [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Serum paraoxonase/arylesterase 1 (PON1) DME0169 Homo sapiens
PON1_HUMAN
3.1.1.2
[2]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Serum paraoxonase/arylesterase 1 (PON1) DME0169 Km = 0.45 microM
PON1_HUMAN
[2]
References
1 Determination of peroxidase encapsulated in liposomes using homogentisic acid y-lactone chemiluminescence. Anal Sci. 2005 Jun;21(6):701-4.
2 Human serum paraoxonase (PON1) isozymes Q and R hydrolyze lactones and cyclic carbonate esters. Drug Metab Dispos. 2000 Nov;28(11):1335-42.

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