Details of the Drug

General Information of Drug (ID: DM01RZX)

Drug Name

QNZ 46

Synonyms

KB-275239

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

444.4

Logarithm of the Partition Coefficient (xlogp)

3.5

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C24H18N3O6+
IUPAC Name: 4-[6-methoxy-2-[(E)-2-(3-nitrophenyl)ethenyl]-4-oxo-4aH-quinazolin-3-ium-3-yl]benzoic acid
Canonical SMILES: COC1=CC2C(=NC(=[N+](C2=O)C3=CC=C(C=C3)C(=O)O)/C=C/C4=CC(=CC=C4)[N+](=O)[O-])C=C1
InChI: InChI=1S/C24H17N3O6/c1-33-19-10-11-21-20(14-19)23(28)26(17-8-6-16(7-9-17)24(29)30)22(25-21)12-5-15-3-2-4-18(13-15)27(31)32/h2-14,20H,1H3/p+1/b12-5+
InChIKey: ZLXASDKCRPAANV-LFYBBSHMSA-O

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glutamate receptor ionotropic NMDA 2D (GluN2D)	TT5POTG	NMDE4_HUMAN	Modulator (allosteric modulator)	[1]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Structural and mechanistic determinants of a novel site for noncompetitive inhibition of GluN2D-containing NMDA receptors. J Neurosci. 2011 Mar 9;31(10):3650-61.