Details of the Drug

General Information of Drug (ID: DMXZ9PI)

Drug Name
4,5,7-Trichloro-3-hydroxy-1H-quinolin-2-one
Synonyms CHEMBL147690
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 264.5
Logarithm of the Partition Coefficient (xlogp) 2.8
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C9H4Cl3NO2
IUPAC Name
4,5,7-trichloro-3-hydroxy-1H-quinolin-2-one
Canonical SMILES
C1=C(C=C(C2=C1NC(=O)C(=C2Cl)O)Cl)Cl
InChI
InChI=1S/C9H4Cl3NO2/c10-3-1-4(11)6-5(2-3)13-9(15)8(14)7(6)12/h1-2,14H,(H,13,15)
InChIKey
NRMJPXWRZZNIDJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44364737
TTD ID
D0H7PR
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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-quinolin-2-ones: Inhibitors of [3H]-glycine binding to the site associated with the NMDA receptor, Bioorg. Med. Chem. Lett. 6(5):499-504 (1996).