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]
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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

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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)

MEA Detail

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.