General Information of Drug (ID: DM5QZDL)

Drug Name
3-Hydroxy-4-phenyl-5H-furan-2-one
Synonyms CHEMBL295478; 6362-76-1; 3-Hydroxy-4-phenylfuran-2(5H)-one; CTK2A8725; DTXSID60446001; 3-hydroxy-4-phenyl-2(5h)-furanone; 2(5H)-Furanone, 3-hydroxy-4-phenyl-
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 176.17
Logarithm of the Partition Coefficient (xlogp) 1.4
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C10H8O3
IUPAC Name
4-phenyloxolane-2,3-dione
Canonical SMILES
C1C(C(=O)C(=O)O1)C2=CC=CC=C2
InChI
InChI=1S/C10H8O3/c11-9-8(6-13-10(9)12)7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKey
WYGILTLZANOLBZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10103675
TTD ID
D0A2EE

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Hydroxyphenylpyruvate dioxygenase (HPD) TT8DSFC HPPD_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Design, synthesis, and evaluation of postulated transient intermediate and substrate analogues as inhibitors of 4-hydroxyphenylpyruvate dioxygenase. Bioorg Med Chem Lett. 2002 Jul 8;12(13):1709-13.