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
PubChem CID
23354226
ChEBI ID
CHEMBL307267
TTD ID
D0FU0K
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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]
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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.