Details of the Drug

General Information of Drug (ID: DMUADN4)

Drug Name

5,7-Dichloro-3-hydroxy-1H-quinazoline-2,4-dione

Indication

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

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

247.03

Logarithm of the Partition Coefficient (xlogp)

1.4

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C8H4Cl2N2O3
IUPAC Name: 5,7-dichloro-3-hydroxy-1H-quinazoline-2,4-dione
Canonical SMILES: C1=C(C=C(C2=C1NC(=O)N(C2=O)O)Cl)Cl
InChI: InChI=1S/C8H4Cl2N2O3/c9-3-1-4(10)6-5(2-3)11-8(14)12(15)7(6)13/h1-2,15H,(H,11,14)
InChIKey: MVMRFDFKPNDLQJ-UHFFFAOYSA-N

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 1 (NMDAR1)	TTLD29N	NMDZ1_HUMAN	Inhibitor	[1]
Glutamate receptor ionotropic NMDA 2A (NMDAR2A)	TTKJEMQ	NMDE1_HUMAN	Inhibitor	[1]
Glutamate receptor ionotropic NMDA 2B (NMDAR2B)	TTN9D8E	NMDE2_HUMAN	Inhibitor	[1]

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

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	3-hydroxy-quinazoline-2,4-dione as a useful scaffold to obtain selective Gly/NMDA and AMPA receptor antagonists. Bioorg Med Chem Lett. 2004 May 3;14(9):2345-9.