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]
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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

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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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

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).