Detailed information for compound 284556

Basic information

Technical information
  • TDR Targets ID: 284556
  • Name: 7-chloro-4-[3-(dimethylamino)propylamino]-3-p henyl-1H-quinolin-2-one
  • MW: 355.861 | Formula: C20H22ClN3O
  • H donors: 2 H acceptors: 2 LogP: 4.8 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCCNc1c(c2ccccc2)c(O)nc2c1ccc(c2)Cl)C
  • InChi: 1S/C20H22ClN3O/c1-24(2)12-6-11-22-19-16-10-9-15(21)13-17(16)23-20(25)18(19)14-7-4-3-5-8-14/h3-5,7-10,13H,6,11-12H2,1-2H3,(H2,22,23,25)
  • InChiKey: FDUCGFFIAJHBIR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 7-chloro-4-[3-(dimethylamino)propylamino]-3-phenyl-carbostyril
  • 7-chloro-4-(3-dimethylaminopropylamino)-3-phenyl-1H-quinolin-2-one
  • 7-chloro-4-(3-dimethylaminopropylamino)-3-phenyl-carbostyril

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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 multilocularis nmda type glutamate receptor 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 granulosus 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 mansoni glutamate receptor NMDA 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 japonicum Glutamate [NMDA] receptor subunit zeta-1 precursor, putative 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Drosophila melanogaster Glutamate receptor IA Glutamate (NMDA) receptor subunit zeta 1   938 aa 979 aa 23.7 %
Drosophila melanogaster NMDA receptor 2 Glutamate (NMDA) receptor subunit zeta 1   938 aa 878 aa 27.4 %
Echinococcus multilocularis glutamate (NMDA) receptor subunit Glutamate (NMDA) receptor subunit zeta 1   938 aa 822 aa 23.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0023 0 0.5
Echinococcus multilocularis nmda type glutamate receptor 0.0127 0.4306 1
Schistosoma mansoni glutamate receptor NMDA 0.0109 0.3546 1
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0023 0 0.5
Echinococcus multilocularis nmda type glutamate receptor 0.01 0.3176 0.7127
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0023 0 0.5
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0265 1 0.5
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0023 0 0.5
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0023 0 0.5
Echinococcus granulosus nmda type glutamate receptor 0.0127 0.4306 1
Echinococcus granulosus nmda type glutamate receptor 0.01 0.3176 0.1439
Chlamydia trachomatis glutamine binding protein 0.0023 0 0.5
Echinococcus multilocularis glutamate receptor NMDA 0.0095 0.2986 0.6645

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 4.2 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) = 4.2 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
No. of mice protected (functional) = 1 compound was evaluated in vivo for their ability to protect against audiogenic seizure in DBA/2 mice when administered 50 mg/kg ip 30 min prior to noise stimulation out of 8 mice tested ChEMBL. 9057862
No. of mice protected (functional) = 6 compound was evaluated in vivo for their ability to protect against audiogenic seizure in DBA/2 mice when administered 100 mg/kg ip 30 min prior to noise stimulation out of 8 mice tested ChEMBL. 9057862
No. of mice protected (functional) = 1 compound was evaluated in vivo for their ability to protect against audiogenic seizure in DBA/2 mice when administered 50 mg/kg ip 30 min prior to noise stimulation out of 8 mice tested ChEMBL. 9057862
No. of mice protected (functional) = 6 compound was evaluated in vivo for their ability to protect against audiogenic seizure in DBA/2 mice when administered 100 mg/kg ip 30 min prior to noise stimulation out of 8 mice tested ChEMBL. 9057862

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

Bibliographic References

1 literature reference was collected for this gene.

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