Detailed information for compound 1561153

Basic information

Technical information
  • TDR Targets ID: 1561153
  • Name: 2-(4-chlorophenyl)-3-[4-(4-methoxyphenoxy)but yl]quinazolin-4-one
  • MW: 434.915 | Formula: C25H23ClN2O3
  • H donors: 0 H acceptors: 1 LogP: 5.51 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)OCCCCn1c(nc2c(c1=O)cccc2)c1ccc(cc1)Cl
  • InChi: 1S/C25H23ClN2O3/c1-30-20-12-14-21(15-13-20)31-17-5-4-16-28-24(18-8-10-19(26)11-9-18)27-23-7-3-2-6-22(23)25(28)29/h2-3,6-15H,4-5,16-17H2,1H3
  • InChiKey: CXWSDJKCOKMFBL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(4-chlorophenyl)-3-[4-(4-methoxyphenoxy)butyl]-4-quinazolinone
  • NCGC00099552-01
  • STOCK2S-41980

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
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
Echinococcus multilocularis tar DNA binding protein 0.0076 0.5155 0.5155
Loa Loa (eye worm) hypothetical protein 0.006 0.314 0.6092
Schistosoma mansoni tar DNA-binding protein 0.0076 0.5155 0.7321
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0925 0.1313
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.1721 0.1721
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0925 0.0925
Plasmodium vivax hypothetical protein, conserved 0.0035 0 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0925 0.1313
Loa Loa (eye worm) RNA binding protein 0.0076 0.5155 1
Brugia malayi RNA binding protein 0.0076 0.5155 0.5155
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 1 1
Echinococcus granulosus jumonji domain containing protein 0.0049 0.1721 0.1721
Schistosoma mansoni tar DNA-binding protein 0.0076 0.5155 0.7321
Schistosoma mansoni jumonji domain containing protein 0.0092 0.7041 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0925 0.1794
Brugia malayi jmjC domain containing protein 0.0043 0.0925 0.0925
Schistosoma mansoni tar DNA-binding protein 0.0076 0.5155 0.7321
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0925 0.0925
Giardia lamblia PHD finger protein 15 0.0035 0 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.5155 1
Plasmodium falciparum phd finger protein, putative 0.0035 0 0.5
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 1 1
Brugia malayi TAR-binding protein 0.0076 0.5155 0.5155
Echinococcus granulosus tar DNA binding protein 0.0076 0.5155 0.5155
Schistosoma mansoni tar DNA-binding protein 0.0076 0.5155 0.7321
Loa Loa (eye worm) TAR-binding protein 0.0076 0.5155 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.5155 0.7321
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.5155 0.5155
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.468 0.9079
Onchocerca volvulus Alhambra homolog 0.0035 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.