Detailed information for compound 1588069

Basic information

Technical information
  • TDR Targets ID: 1588069
  • Name: 2-(4-chlorophenyl)-3-[2-(3-propan-2-ylphenoxy )ethyl]quinazolin-4-one
  • MW: 418.915 | Formula: C25H23ClN2O2
  • H donors: 0 H acceptors: 1 LogP: 5.95 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOc1cccc(c1)C(C)C
  • InChi: 1S/C25H23ClN2O2/c1-17(2)19-6-5-7-21(16-19)30-15-14-28-24(18-10-12-20(26)13-11-18)27-23-9-4-3-8-22(23)25(28)29/h3-13,16-17H,14-15H2,1-2H3
  • InChiKey: VJWHGQAKDJJBOF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(4-chlorophenyl)-3-[2-(3-isopropylphenoxy)ethyl]quinazolin-4-one
  • 2-(4-chlorophenyl)-3-[2-(3-isopropylphenoxy)ethyl]-4-quinazolinone
  • NCGC00099514-01
  • ZINC01836320
  • STOCK2S-49178

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
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0227 0.4971 0.5
Trypanosoma cruzi Replication factor A protein 1 0.0199 0.4234 0.5
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.0416 1 1
Toxoplasma gondii OB-fold nucleic acid binding domain-containing protein 0.0104 0.1709 0.3907
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.0416 1 1
Leishmania major replication factor A, 51kDa subunit, putative 0.0199 0.4234 0.5
Loa Loa (eye worm) replication factor A 73 kDa subunit 0.0416 1 1
Plasmodium falciparum replication protein A1, large subunit 0.0199 0.4234 0.5
Onchocerca volvulus Putative replication factor A 73 kDa subunit 0.0372 0.8837 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.1111 0.1111
Trypanosoma brucei Replication factor A protein 1 0.0199 0.4234 0.5
Echinococcus multilocularis replication protein A 70 kDa DNA binding 0.0416 1 1
Giardia lamblia Hypothetical protein 0.0061 0.0546 0.5
Echinococcus granulosus replication protein A 70 kDa DNA binding 0.0416 1 1
Onchocerca volvulus 0.0082 0.1111 0.1257
Toxoplasma gondii replication factor-a protein 1 (rpa1) subfamily protein 0.0199 0.4234 1
Schistosoma mansoni replication factor A 1 rfa1 0.0416 1 1
Plasmodium vivax replication protein A1, large subunit, putative 0.0199 0.4234 0.5
Brugia malayi BRCA2 repeat family protein 0.0084 0.1163 0.0058
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.0395 0.9454 0.9053
Loa Loa (eye worm) BRCA2 repeat family protein 0.0084 0.1163 0.1163
Entamoeba histolytica replication factor A protein 1, putative 0.0179 0.3688 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 100 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.

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