TDR Targets

Basic information

Technical information

TDR Targets ID: 41197
Name: 7-chloro-2-hydroxy-3-phenyl-1H-quinolin-4-one
MW: 271.698 | Formula: C15H10ClNO2
H donors: 2 H acceptors: 2 LogP: 2.96 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc2c(c1)[nH]c(=O)c(c2O)c1ccccc1
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

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

7-chloro-2-hydroxy-3-phenyl-4-quinolone
3-phenyl-4-hydroxy-7-chloroquinolin-2(1H)-one
28563-19-1
2(1H)-Quinolinone, 7-chloro-4-hydroxy-3-phenyl-
Mdl 104,653
Mdl 104653

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Glutamate NMDA receptor	Starlite/ChEMBL	References
Rattus norvegicus	Glutamate (NMDA) receptor subunit zeta 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	nmda type glutamate receptor	Get druggable targets OG5_133478	All targets in OG5_133478
Echinococcus granulosus	glutamate receptor NMDA	Get druggable targets OG5_133478	All targets in OG5_133478
Schistosoma japonicum	expressed protein	Get druggable targets OG5_133478	All targets in OG5_133478
Schistosoma japonicum	Glutamate [NMDA] receptor subunit zeta-1 precursor, putative	Get druggable targets OG5_133478	All targets in OG5_133478
Echinococcus multilocularis	nmda type glutamate receptor	Get druggable targets OG5_133478	All targets in OG5_133478
Echinococcus granulosus	nmda type glutamate receptor	Get druggable targets OG5_133478	All targets in OG5_133478
Schistosoma japonicum	Glutamate [NMDA] receptor subunit zeta-1 precursor, putative	Get druggable targets OG5_133478	All targets in OG5_133478
Echinococcus multilocularis	nmda type glutamate receptor	Get druggable targets OG5_133478	All targets in OG5_133478
Schistosoma mansoni	glutamate receptor NMDA	Get druggable targets OG5_133478	All targets in OG5_133478
Echinococcus multilocularis	glutamate receptor NMDA	Get druggable targets OG5_133478	All targets in OG5_133478
Schistosoma japonicum	Glutamate [NMDA] receptor subunit zeta-1 precursor, putative	Get druggable targets OG5_133478	All targets in OG5_133478

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	Glutamate (NMDA) receptor subunit zeta 1	938 aa	822 aa	23.2 %
Drosophila melanogaster	NMDA receptor 2	Glutamate (NMDA) receptor subunit zeta 1	938 aa	878 aa	27.4 %
Drosophila melanogaster	Glutamate receptor IA	Glutamate (NMDA) receptor subunit zeta 1	938 aa	979 aa	23.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	nmda type glutamate receptor	0.0104	0.4255	0.1439
Echinococcus multilocularis	nmda type glutamate receptor	0.0159	1	1
Echinococcus multilocularis	nmda type glutamate receptor	0.0104	0.4255	0.4255
Echinococcus multilocularis	glutamate receptor NMDA	0.0095	0.3289	0.3289
Schistosoma mansoni	glutamate receptor NMDA	0.0122	0.6138	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	= 4.5 mg kg-1	compound was evaluated in vivo for their ability to protect against audiogenic seizure in DBA/2 mice when dosed ip 30 min prior to noise stimulation and it is evaluated as ED50 value	ChEMBL.	9057862
ED50 (functional)	= 4.5 mg kg-1	Protection from audiogenic seizure in the DBA/2 mouse 30 min after intraperitoneal administration	ChEMBL.	8182696
ED50 (functional)	= 4.5 mg kg-1	Anti convulsant activity of compound was measured by its ability to protect against audiogenic seizure in DBA/2 mice when dosed intraperitoneally 30 min prior to seizure induction.	ChEMBL.	9406596
ED50 (functional)	= 4.5 mg kg-1	Effective dose required to protect against audiogenic seizure in DBA/2 mice	ChEMBL.	No reference
ED50 (functional)	= 4.5 mg kg-1	compound was evaluated in vivo for their ability to protect against audiogenic seizure in DBA/2 mice when dosed ip 30 min prior to noise stimulation and it is evaluated as ED50 value	ChEMBL.	9057862
ED50 (functional)	= 4.5 mg kg-1	Protection from audiogenic seizure in the DBA/2 mouse 30 min after intraperitoneal administration	ChEMBL.	8182696
ED50 (functional)	= 4.5 mg kg-1	Anti convulsant activity of compound was measured by its ability to protect against audiogenic seizure in DBA/2 mice when dosed intraperitoneally 30 min prior to seizure induction.	ChEMBL.	9406596
ED50 (functional)	= 4.5 mg kg-1	Effective dose required to protect against audiogenic seizure in DBA/2 mice	ChEMBL.	No reference
ED50 (functional)	= 7.6 mg kg-1	Protection from audiogenic seizure in the DBA/2 mouse 30 min after oral administration	ChEMBL.	8182696
ED50 (functional)	= 7.6 mg kg-1	Protection from audiogenic seizure in the DBA/2 mouse 30 min after oral administration	ChEMBL.	8182696
HSAI (binding)	= 10	Human serum albumin index was measured by retention time of the compound on an HPLC column containing human albumin	ChEMBL.	9406596
HSAI (binding)	= 10	Human serum albumin index was measured by retention time of the compound on an HPLC column containing human albumin	ChEMBL.	9406596
IC50 (binding)	= 170 nM	Inhibition of the binding of [3H]-L-689,560 ([3H]-4) to the strychnine-insensitive glycine site on rat brain membranes	ChEMBL.	8182696
IC50 (binding)	= 170 nM	Inhibition of the binding of [3H]-L-689,560 ([3H]-4) to the strychnine-insensitive glycine site on rat brain membranes	ChEMBL.	8182696
IC50 (binding)	= 172 nM	Affinity for the glycine binding site on rat N-methyl-D-aspartate glutamate receptor 1, determined by displacement of the glycine site antagonist [3H]L-689,560 from rat cortical membranes	ChEMBL.	9406596
IC50 (binding)	= 172 nM	Affinity for the glycine binding site on rat N-methyl-D-aspartate glutamate receptor 1, determined by displacement of the glycine site antagonist [3H]L-689,560 from rat cortical membranes	ChEMBL.	9406596
IC50 (binding)	= 0.17 uM	In vitro ability to displace [3H]L-689,560 binding to glycine site on the N-methyl-D-aspartate (NMDA) glutamate receptor 1 from rat cortical membranes	ChEMBL.	9057862
IC50 (binding)	= 0.17 uM	Displacement of [3H]L-689,560 from NMDA receptor glycine site of rat brain membranes	ChEMBL.	No reference
IC50 (binding)	= 0.17 uM	Compound was evaluated for its ability to displace [3H]-L-689,560 from rat cortical membrane	ChEMBL.	No reference
IC50 (binding)	= 0.17 uM	In vitro ability to displace [3H]L-689,560 binding to glycine site on the N-methyl-D-aspartate (NMDA) glutamate receptor 1 from rat cortical membranes	ChEMBL.	9057862
IC50 (binding)	= 0.17 uM	Displacement of [3H]L-689,560 from NMDA receptor glycine site of rat brain membranes	ChEMBL.	No reference
IC50 (binding)	= 0.17 uM	Compound was evaluated for its ability to displace [3H]-L-689,560 from rat cortical membrane	ChEMBL.	No reference
Kb (functional)	= 880 nM	Blockade of NMDA-induced depolarizations on rat cortical slices	ChEMBL.	8182696
Kb (functional)	= 0.88 uM	Evaluated to antagonize NMDA responses in a rat cortical slice preparations	ChEMBL.	9057862
Kb (functional)	= 0.88 uM	Tested for ability of the compound to inhibit NMDA-induced depolarizations in rat cortical slices	ChEMBL.	No reference
Kb (functional)	= 0.88 uM	Evaluated to antagonize NMDA responses in a rat cortical slice preparations	ChEMBL.	9057862
Ki (binding)	= 0.151 uM	Inhibition of [3H]glycine binding to NMDA receptor in rat brain membranes	ChEMBL.	16451052
Ki (binding)	= 0.151 uM	Inhibition of [3H]glycine binding to NMDA receptor in rat brain membranes	ChEMBL.	16451052
logP (ADMET)	= 1.6	Partition coefficient (logP)	ChEMBL.	9406596
PBI (binding)	= 37	protein binding index(PBI) is the ratio of binding affinities for the displacement of [3H]- glycine from rat cortical membranes in the presence and absence of 0.2% human serum albumin	ChEMBL.	9406596
pKa	= 5.4	Dissociation constant pKa of the compound was determined	ChEMBL.	No reference
pKa	= 5.4	pKa value of the compound was measured	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Search by CAS
ChEMBL: CHEMBL31661
PubChem: 2784794

Bibliographic References

4 literature references were collected for this gene.

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Detailed information for compound 41197