Details of the Drug

General Information of Drug (ID: DMA7LUR)

Drug Name

ANTAQ

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 is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

338.4

Logarithm of the Partition Coefficient (xlogp)

4.7

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C22H14N2O2
IUPAC Name: 3-anthracen-9-yl-1H-quinazoline-2,4-dione
Canonical SMILES: C1=CC=C2C(=C1)C=C3C=CC=CC3=C2N4C(=O)C5=CC=CC=C5NC4=O
InChI: InChI=1S/C22H14N2O2/c25-21-18-11-5-6-12-19(18)23-22(26)24(21)20-16-9-3-1-7-14(16)13-15-8-2-4-10-17(15)20/h1-13H,(H,23,26)
InChIKey: SISSLRJYACXIQF-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Puromycin-sensitive aminopeptidase (NPEPPS)	TT371QC	PSA_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

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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
Puromycin-sensitive aminopeptidase (NPEPPS)	DTT	NPEPPS	8.88E-01	7.78E-03	1.30E-02

Molecular Expression Atlas (MEA)

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References

1	Fluorescent bioprobes for visualization of puromycin-sensitive aminopeptidase in living cells. Bioorg Med Chem Lett. 2003 Jan 6;13(1):83-6.