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

General Information of Drug (ID: DR2013)
Drug Name
Gamma-butyrolactone
Synonyms
Agrisynth BLO; BUTYROLACTONE; Butyric acid lactone; Butyryl lactone; Butyrylactone; Dihydro-2(3H)-furanone; Dihydro-2-furanone; Tetrahydro-2-furanone; dihydrofuran-2(3H)-one; g-Butyrolactone; gamma-BL; gamma-Butyrolactone; gamma-Hydroxybutyric acid lactone; gamma-Hydroxybutyrolactone; oxolan-2-one; 1,2-Butanolide; 1,4-Butanolide; 1,4-Lactone; 2(3H)-Furanone, dihydro-; 2-Oxolanone; 2-Oxotetrahydrofuran; 4-Butanolide; 4-Butyrolactone; 4-Deoxytetronic acid; 4-Hydroxybutanoic acid lactone; 4-Hydroxybutyric acid lactone; 96-48-0; BLON
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 86.09 Topological Polar Surface Area 26.3
Heavy Atom Count 6 Rotatable Bond Count 0
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
7302
PubChem SID
4903 ; 70860 ; 588018 ; 7626330 ; 8154887 ; 10538813 ; 11528358 ; 12498494 ; 14709124 ; 15237740 ; 17137143 ; 24891553 ; 24901615 ; 26697247 ; 26714775 ; 29226172 ; 37340203 ; 37495602 ; 46508619 ; 48413356 ; 48416996 ; 48420859 ; 48423455 ; 51073031 ; 55161562 ; 56436330 ; 57324105 ; 57581177 ; 74807205 ; 92252449 ; 103310643 ; 104023018 ; 104314563 ; 104668347 ; 117591527 ; 118980210 ; 124954223 ; 124954224 ; 125001736 ; 125001739 ; 125308566 ; 125360376 ; 126523369 ; 126657595 ; 126678505 ; 126734388 ; 127319434 ; 127319435 ; 127319436 ; 127319437
ChEBI ID
CHEBI:42639
CAS Number
96-48-0
TTD Drug ID
D0QA3I
Formula
C4H6O2
Canonical SMILES
C1CC(=O)OC1
InChI
1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2
InChIKey
YEJRWHAVMIAJKC-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-hydroxybutyric acid DM005890
10413
Unclear 1 [2]
Unclear DM009999 N. A. Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006321 Gamma-butyrolactone 4-hydroxybutyric acid Unclear LAG [2]
MR006322 Gamma-butyrolactone Unclear Unclear PON1 [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
#NAME? DMEN319 Homo sapiens Not Available Not Available [2]
Serum paraoxonase/arylesterase 1 (PON1) DME0169 Homo sapiens
PON1_HUMAN
3.1.1.2
[3]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Serum paraoxonase/arylesterase 1 (PON1) DME0169 Km = 15 microM
PON1_HUMAN
[3]
References
1 The IUPHAR/BPS Guide to PHARMACOLOGY in 2020: extending immunopharmacology content and introducing the IUPHAR/MMV Guide to MALARIA PHARMACOLOGY. Nucleic Acids Res. 2020 Jan 8;48(D1):D1006-D1021. (Ligand id: 5462).
2 Chemosynthesis of bioresorbable poly(gamma-butyrolactone) by ring-opening polymerisation: a review
3 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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