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
CHEBI:144197
CAS Number
548-59-4
TTD ID
D0X4NX

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]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Dihydroorotate dehydrogenase (DHODH) OTAKFN78 PYRD_HUMAN Gene/Protein Processing [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.