Details of the Drug

General Information of Drug (ID: DMN6Q4E)

Drug Name
Polyporic acid
Synonyms
Polyporic acid; Polyporin; Orygameic acid; 548-59-4; 2,5-Dihydroxy-3,6-diphenyl-p-benzoquinone; NSC 44175; S 1148; NSC44175; BRN 2057889; 2,5-Dihydroxy-3,6-diphenyl-2,5-cyclohexadiene-1,4-dione; 2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3,6-diphenyl-; p-BENZOQUINONE, 2,5-DIHYDROXY-3,6-DIPHENYL-; 2,5-Dihydroxy-3,6-diphenylbenzo-1,4-quinone; AC1L1WIT; 4-08-00-03298 (Beilstein Handbook Reference); SCHEMBL2445444; CTK1H0626; DTXSID50203281; MolPort-003-979-960; HZKFHDXTSAYOSN-UHFFFAOYSA-N
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) 292.3
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C18H12O4
IUPAC Name
2,5-dihydroxy-3,6-diphenylcyclohexa-2,5-diene-1,4-dione
Canonical SMILES
C1=CC=C(C=C1)C2=C(C(=O)C(=C(C2=O)O)C3=CC=CC=C3)O
InChI
InChI=1S/C18H12O4/c19-15-13(11-7-3-1-4-8-11)16(20)18(22)14(17(15)21)12-9-5-2-6-10-12/h1-10,19,22H
InChIKey
HZKFHDXTSAYOSN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11056
ChEBI ID
CHEMBL480678
CAS Number
548-59-4
TTD ID
D0X4NX
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Plasmodium Dihydroorotate dehydrogenase (Malaria DHOdehase) TT3PQ2Y PYRD_PLAF7 Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Kinetics of inhibition of human and rat dihydroorotate dehydrogenase by atovaquone, lawsone derivatives, brequinar sodium and polyporic acid. Chem Biol Interact. 2000 Jan 3;124(1):61-76.