Details of the Drug

General Information of Drug (ID: DMO9HM7)

Drug Name

L-698532

Synonyms

28563-19-1; 3-Phenyl-4-hydroxy-7-chloroquinolin-2(1H)-one; L-698532; CHEMBL31661; 7-Chloro-4-hydroxy-3-phenyl-2(1H)-quinolone; 7-chloro-4-hydroxy-3-phenyl-2(1H)-quinolinone; 7-Chloro-4-hydroxy-3-phenyl-1H-quinolin-2-one; Mdl 104,653; ZINC5910; AC1MD767; SCHEMBL1612505; CTK4G1708; DTXSID80182777; RDXQSWLUXKUQSI-UHFFFAOYSA-N; BCP18252; BDBM50041467; AKOS032961557; 7-chloro-4-hydroxy-3-phenylquinolin-2(1H)-one; 7-chloro-2-hydroxy-3-phenyl-1H-quinolin-4-one; 3-phenyl-4-hydroxy-7-chloro-quinolin-2(1h)-one

Indication

Disease Entry	ICD 11	Status	REF
Neurological disorder	6B60	Terminated	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

271.7

Logarithm of the Partition Coefficient (xlogp)

3

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C15H10ClNO2
IUPAC Name: 7-chloro-4-hydroxy-3-phenyl-1H-quinolin-2-one
Canonical SMILES: C1=CC=C(C=C1)C2=C(C3=C(C=C(C=C3)Cl)NC2=O)O
InChI: InChI=1S/C15H10ClNO2/c16-10-6-7-11-12(8-10)17-15(19)13(14(11)18)9-4-2-1-3-5-9/h1-8H,(H2,17,18,19)
InChIKey: RDXQSWLUXKUQSI-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 54697468
CAS Number: 28563-19-1
TTD ID: D03CNT

Drug ADMET Endpoint Profile (DAE)^NEW

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

Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800006620)
2	Synthesis of thieno[2,3-b]pyridinones acting as cytoprotectants and as inhibitors of [3H]glycine binding to the N-methyl-D-aspartate (NMDA) receptor. J Med Chem. 2006 Feb 9;49(3):864-71.