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

General Information of Drug (ID: DR2014)
Drug Name
Gamma-thiobutyrolactone
Synonyms
Dihydro-2(3H)-thiophenone; Dihydro-2-(3H)-thiophenone; KMSNYNIWEORQDJ-UHFFFAOYSA-N; Tetrahydro-2-thiophenone; Thiacyclopentan-2-one; Thiacyclopentanone-2; Thiolan-2-one; dihydrothiophen-2(3H)-one; gamma-Thiobutyrolactone; thiolanone; .gamma.-Thiobutyrolactone; 1003-10-7; 2(3H)-Thiophenone, dihydro-; 2-Oxothiolane; 2-THIOPHENONE, TETRAHYDRO-; 2-Thiolanone; 2-oxotetrahydrothiophene; 4-Butyrothiolactone; 4-Thiobutyrolactone; A3ERZ734SN; AC1L22MB; BRN 0105273; CHEBI:89059; EINECS 213-700-8; NSC 54087; SCHEMBL13480; UNII-A3ERZ734SN
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 102.16 Topological Polar Surface Area 42.4
Heavy Atom Count 6 Rotatable Bond Count 0
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
13852
ChEBI ID
CHEBI:89059
CAS Number
1003-10-7
Formula
C4H6OS
Canonical SMILES
C1CC(=O)SC1
InChI
1S/C4H6OS/c5-4-2-1-3-6-4/h1-3H2
InChIKey
KMSNYNIWEORQDJ-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. Unclear 1 [2] , [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006323 Gamma-thiobutyrolactone Unclear Unclear PON1 [2], [3]
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 = 2.8 microM
PON1_HUMAN
[2]
References
1 PubChem 2019 update: improved access to chemical data. Nucleic Acids Res. 2019 Jan 8; 47(D1):D1102-1109. (PubChem CID: 13852)
2 Human serum paraoxonase (PON1) isozymes Q and R hydrolyze lactones and cyclic carbonate esters. Drug Metab Dispos. 2000 Nov;28(11):1335-42.
3 Decreased paraoxonase 1 (PON1) lactonase activity in hemodialyzed and renal transplanted patients. A novel cardiovascular biomarker in end-stage renal disease

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.