Details of the Drug

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)

MIA Detail

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.