Detailed information for compound 207207

Basic information

Technical information
  • TDR Targets ID: 207207
  • Name: 6-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-3,4- dihydro-1H-quinolin-2-one
  • MW: 336.408 | Formula: C19H16N2O2S
  • H donors: 1 H acceptors: 2 LogP: 3.39 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)c1scc(n1)c1ccc2c(c1)CCC(=O)N2
  • InChi: 1S/C19H16N2O2S/c1-23-15-6-2-12(3-7-15)19-21-17(11-24-19)14-4-8-16-13(10-14)5-9-18(22)20-16/h2-4,6-8,10-11H,5,9H2,1H3,(H,20,22)
  • InChiKey: GPZPSXPMTBPYDJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-[2-(4-methoxyphenyl)thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
  • 6-[2-(4-methoxyphenyl)-4-thiazolyl]-3,4-dihydro-1H-quinolin-2-one
  • 6-[2-(4-methoxyphenyl)thiazol-4-yl]-3,4-dihydrocarbostyril
  • T5557374
  • ZINC08209206

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium vivax vivapain-1 0.0016 0 0.5
Plasmodium vivax vivapain-2 0.0016 0 0.5
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0049 0.2688 1
Trypanosoma brucei cysteine peptidase C (CPC) 0.0049 0.2688 1
Entamoeba histolytica cysteine protease, putative 0.0016 0 0.5
Entamoeba histolytica cysteine proteinase, putative 0.0016 0 0.5
Entamoeba histolytica cysteine protease, putative 0.0016 0 0.5
Entamoeba histolytica cysteine proteinase 1, putative 0.0016 0 0.5
Entamoeba histolytica cysteine protease, putative 0.0016 0 0.5
Onchocerca volvulus 0.0016 0 0.5
Onchocerca volvulus 0.0016 0 0.5
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0016 0 0.5
Entamoeba histolytica cysteine proteinase, putative 0.0016 0 0.5
Entamoeba histolytica cysteine protease, putative 0.0016 0 0.5
Giardia lamblia Cathepsin B precursor 0.0049 0.2688 0.5
Entamoeba histolytica cysteine protease, putative 0.0016 0 0.5
Entamoeba histolytica cysteine proteinase, putative 0.0016 0 0.5
Entamoeba histolytica cysteine protease, putative 0.0016 0 0.5
Entamoeba histolytica cysteine protease, putative 0.0016 0 0.5
Entamoeba histolytica cysteine protease, putative 0.0016 0 0.5
Entamoeba histolytica cysteine protease, putative 0.0016 0 0.5
Entamoeba histolytica cysteine proteinase 2 0.0016 0 0.5
Onchocerca volvulus Cathepsin F homolog 0.0016 0 0.5
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0141 1 1
Echinococcus multilocularis cathepsin b 0.0141 1 1
Echinococcus multilocularis cathepsin b 0.0141 1 1
Entamoeba histolytica cysteine protease, putative 0.0016 0 0.5
Loa Loa (eye worm) cathepsin B 0.0049 0.2688 0.2688
Plasmodium vivax vivapain-2 0.0016 0 0.5
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0049 0.2688 0.2688
Plasmodium falciparum cysteine proteinase falcipain 1 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0141 1 1
Onchocerca volvulus Cathepsin L homolog 0.0016 0 0.5
Onchocerca volvulus Cathepsin L homolog 0.0016 0 0.5
Onchocerca volvulus 0.0016 0 0.5
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0141 1 1
Echinococcus granulosus cathepsin b 0.0141 1 1
Entamoeba histolytica cysteine protease, putative 0.0016 0 0.5
Entamoeba histolytica cysteine proteinase, putative 0.0016 0 0.5
Entamoeba histolytica cysteine protease, putative 0.0016 0 0.5
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0141 1 1
Onchocerca volvulus 0.0016 0 0.5
Plasmodium falciparum cysteine proteinase falcipain 3 0.0016 0 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0049 0.2688 1
Onchocerca volvulus 0.0016 0 0.5
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0016 0 0.5
Giardia lamblia Cathepsin B precursor 0.0049 0.2688 0.5
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0049 0.2688 0.2688
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0141 1 1
Onchocerca volvulus 0.0016 0 0.5
Plasmodium vivax unspecified product 0.0016 0 0.5
Plasmodium vivax vivapain-3 0.0016 0 0.5
Entamoeba histolytica cysteine protease, putative 0.0016 0 0.5
Toxoplasma gondii cathepsin B 0.0049 0.2688 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0141 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0016 0 0.5
Entamoeba histolytica cysteine proteinase, putative 0.0016 0 0.5
Onchocerca volvulus 0.0016 0 0.5
Giardia lamblia Cathepsin B precursor 0.0049 0.2688 0.5
Echinococcus granulosus cathepsin b 0.0141 1 1
Entamoeba histolytica cysteine protease, putative 0.0016 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 9 uM In vitro inhibitory activity against superoxide production from human neutrophils stimulated with f-MLP ChEMBL. 7830278
IC50 (functional) = 9 uM In vitro inhibitory activity against superoxide production from human neutrophils stimulated with f-MLP ChEMBL. 7830278

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 7830278

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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