Detailed information for compound 418436

Basic information

Technical information
  • TDR Targets ID: 418436
  • Name: 2-morpholin-4-yl-6-(3-quinolin-8-ylphenyl)thi opyran-4-one
  • MW: 400.493 | Formula: C24H20N2O2S
  • H donors: 0 H acceptors: 2 LogP: 4.16 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1cc(sc(c1)c1cccc(c1)c1cccc2c1nccc2)N1CCOCC1
  • InChi: 1S/C24H20N2O2S/c27-20-15-22(29-23(16-20)26-10-12-28-13-11-26)19-6-1-5-18(14-19)21-8-2-4-17-7-3-9-25-24(17)21/h1-9,14-16H,10-13H2
  • InChiKey: SJNKMFRIVPMBFC-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-morpholino-6-[3-(8-quinolyl)phenyl]thiopyran-4-one
  • 2-morpholino-6-[3-(8-quinolyl)phenyl]-4-thiopyranone

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
Brugia malayi Fibulin-1 precursor 0.0442 0.0591 0.0591
Leishmania major hypothetical protein, conserved 0.0404 0 0.5
Echinococcus multilocularis laminin 0.0442 0.0591 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.1054 1 1
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0442 0.0591 0.0591
Echinococcus granulosus Tolloid protein 1 0.0442 0.0591 1
Schistosoma mansoni egf-like domain protein 0.0442 0.0591 0.0591
Echinococcus granulosus laminin 0.0442 0.0591 1
Loa Loa (eye worm) hypothetical protein 0.1054 1 1
Loa Loa (eye worm) hypothetical protein 0.0442 0.0591 0.0591
Echinococcus multilocularis fibrillin 1 0.0442 0.0591 1
Onchocerca volvulus 0.1054 1 1
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0442 0.0591 0.0591
Toxoplasma gondii calcium binding egf domain-containing protein 0.0442 0.0591 0.1479
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.1054 1 1
Loa Loa (eye worm) hypothetical protein 0.0442 0.0591 0.0591
Loa Loa (eye worm) hypothetical protein 0.0464 0.0922 0.0922
Onchocerca volvulus 0.0828 0.6514 0.6514
Onchocerca volvulus Arrow homolog 0.0442 0.0591 0.0591
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0442 0.0591 0.0591
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0442 0.0591 0.0591
Brugia malayi Calcium binding EGF domain containing protein 0.0442 0.0591 0.0591
Toxoplasma gondii PAN domain-containing protein 0.0664 0.3998 1
Loa Loa (eye worm) hypothetical protein 0.1054 1 1
Toxoplasma gondii PAN domain-containing protein 0.0664 0.3998 1
Echinococcus multilocularis Tolloid protein 1 0.0442 0.0591 1
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0442 0.0591 0.0591
Loa Loa (eye worm) hypothetical protein 0.0442 0.0591 0.0591
Loa Loa (eye worm) hypothetical protein 0.0442 0.0591 0.0591
Plasmodium falciparum cysteine repeat modular protein 1 0.0404 0 0.5
Toxoplasma gondii calcium binding egf domain-containing protein 0.0442 0.0591 0.1479
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0404 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0404 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 30 % Inhibition of DNA-PK in HeLa cell nuclear extracts at 1.0 uM ChEMBL. 17371003
Inhibition (binding) = 30 % Inhibition of DNA-PK in HeLa cell nuclear extracts at 1.0 uM ChEMBL. 17371003

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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