Details of the Drug

General Information of Drug (ID: DMDCZWY)

Drug Name
gamma-butyrolactone
Synonyms 4-butanolide; 2-oxolanone
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 86.09
Logarithm of the Partition Coefficient (xlogp) -0.6
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C4H6O2
IUPAC Name
oxolan-2-one
Canonical SMILES
C1CC(=O)OC1
InChI
InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2
InChIKey
YEJRWHAVMIAJKC-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
7302
ChEBI ID
CHEMBL42639
CAS Number
96-48-0
UNII
OL659KIY4X
DrugBank ID
DB04699
TTD ID
D0QA3I
INTEDE ID
DR2013
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Serum paraoxonase/arylesterase 1 (PON1)
Main DME 		DESDN74 PON1_HUMAN Substrate [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5462).
2 Human serum paraoxonase (PON1) isozymes Q and R hydrolyze lactones and cyclic carbonate esters. Drug Metab Dispos. 2000 Nov;28(11):1335-42.