Details of the Drug

General Information of Drug (ID: DM7XTHD)

Drug Name
Piriqualone
Synonyms
SRC 909; BRN 0622820; 1897-90-1; 2-(2-(3-Pyridyl)-ethenyl)-3-(o-tolyl)-4(3H)-quinazolinone; 2-(beta-Pyridyl-(3'')-aethenyl)-3-(o-tolyl)chinazolinone-(4) [German]; 4(3H)-Quinazolinone, 2-(2-(3-pyridyl)ethenyl)-3-(o-tolyl)-; 3-(2-methylphenyl)-2-(2-(3-pyridinyl)ethenyl)-4(3H)-quinazolinone; 4(3H)-Quinazolinone, 3-(2-methylphenyl)-2-(2-(3-pyridinyl)ethenyl)-; SRC-909; AC1NWBSK; AC1Q6E7H; MolPort-001-954-696; MolPort-019-773-808; 2-(beta-Pyridyl-(3'')-aethenyl)-3-(o-tolyl)chinazolinone-(4); ZINC4018972; STK721935
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) 339.4
Logarithm of the Partition Coefficient (xlogp) 3.6
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C22H17N3O
IUPAC Name
3-(2-methylphenyl)-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one
Canonical SMILES
CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)/C=C/C4=CC=CC=N4
InChI
InChI=1S/C22H17N3O/c1-16-8-2-5-12-20(16)25-21(14-13-17-9-6-7-15-23-17)24-19-11-4-3-10-18(19)22(25)26/h2-15H,1H3/b14-13+
InChIKey
MYGZNGAHFWOCLI-BUHFOSPRSA-N
Cross-matching ID
PubChem CID
6015423
CAS Number
1897-89-8
TTD ID
D08SYX
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
Glutamate receptor AMPA (GRIA) TTAN6JD NOUNIPROTAC Inhibitor [1]
Glutamate receptor AMPA 1 (GRIA1) TTVPQTF GRIA1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Glutamate receptor AMPA 1 (GRIA1) DTT GRIA1 1.46E-06 -0.63 -0.78
Glutamate receptor AMPA (GRIA) DTT NO-GeName 1.79E-04 -0.69 -0.58
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Atropisomeric quinazolin-4-one derivatives are potent noncompetitive alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) receptor antag... Bioorg Med Chem Lett. 2001 Jan 22;11(2):177-81.