Detailed information for compound 1126995

Basic information

Technical information
  • TDR Targets ID: 1126995
  • Name: 7-chloro-N-(3,5-dimethoxyphenyl)-3-phenylsulf onyltriazolo[1,5-a]quinazolin-5-amine
  • MW: 495.938 | Formula: C23H18ClN5O4S
  • H donors: 1 H acceptors: 5 LogP: 4.69 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(cc(c1)OC)Nc1nc2n(c3c1cc(Cl)cc3)nnc2S(=O)(=O)c1ccccc1
  • InChi: 1S/C23H18ClN5O4S/c1-32-16-11-15(12-17(13-16)33-2)25-21-19-10-14(24)8-9-20(19)29-22(26-21)23(27-28-29)34(30,31)18-6-4-3-5-7-18/h3-13H,1-2H3,(H,25,26)
  • InChiKey: FPTQIZKOHMEABG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 7-chloro-N-(3,5-dimethoxyphenyl)-3-phenylsulfonyl-triazolo[1,5-a]quinazolin-5-amine
  • 7-chloro-N-(3,5-dimethoxyphenyl)-3-phenylsulfonyl-5-triazolo[1,5-a]quinazolinamine
  • (7-chloro-3-phenylsulfonyl-triazolo[1,5-a]quinazolin-5-yl)-(3,5-dimethoxyphenyl)amine
  • 7-chloro-N-(3,5-dimethoxyphenyl)-3-phenylsulfonyl-[1,2,3]triazolo[1,5-a]quinazolin-5-amine
  • C718-0880
  • NCGC00112210-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

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
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0331 0.1747 1
Schistosoma mansoni hypothetical protein 0.0191 0.0679 0.3888
Giardia lamblia DNA topoisomerase II 0.0286 0.1409 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0109 0.006 0.0344
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0818 0.5455 1
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0331 0.1747 1
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0331 0.1747 1
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.023 0.0977 0.1791
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0331 0.1747 1
Chlamydia trachomatis DNA gyrase subunit B 0.0928 0.6292 0.6292
Plasmodium vivax DNA topoisomerase II, putative 0.0331 0.1747 0.1747
Plasmodium falciparum DNA topoisomerase 2 0.0331 0.1747 0.1747
Mycobacterium leprae Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0487 0.2938 1
Trypanosoma cruzi DNA topoisomerase II, putative 0.023 0.0977 0.1791
Leishmania major mitochondrial DNA topoisomerase II 0.0818 0.5455 1
Trypanosoma cruzi DNA topoisomerase II, putative 0.023 0.0977 0.1791
Mycobacterium ulcerans DNA gyrase subunit B 0.1416 1 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0863 0.5797 1
Plasmodium vivax DNA gyrase subunit B, putative 0.1416 1 1
Plasmodium falciparum DNA gyrase subunit B 0.1416 1 1
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0818 0.5455 1
Loa Loa (eye worm) TOPoisomerase family member 0.0331 0.1747 1
Trypanosoma brucei DNA topoisomerase ii 0.0818 0.5455 1
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0331 0.1747 1
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0331 0.1747 1
Echinococcus multilocularis geminin 0.0191 0.0679 0.1171
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.1416 1 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0109 0.006 0.0344
Trypanosoma brucei DNA topoisomerase II beta, putative 0.023 0.0977 0.1791
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0818 0.5455 1
Entamoeba histolytica DNA topoisomerase II, putative 0.0331 0.1747 1
Loa Loa (eye worm) hypothetical protein 0.023 0.0977 0.5592
Trichomonas vaginalis DNA topoisomerase II, putative 0.0331 0.1747 1
Echinococcus granulosus geminin 0.0191 0.0679 0.3888
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.1416 1 1
Leishmania major DNA topoisomerase ii 0.023 0.0977 0.1791
Loa Loa (eye worm) hypothetical protein 0.023 0.0977 0.5592
Brugia malayi Probable DNA topoisomerase II 0.0331 0.1747 1
Schistosoma mansoni hypothetical protein 0.0191 0.0679 0.3888
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.1416 1 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.006 0.0344
Toxoplasma gondii DNA topoisomerase 2, putative 0.0331 0.1747 0.3202
Schistosoma mansoni DNA topoisomerase II 0.0331 0.1747 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0109 0.006 0.0344
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0331 0.1747 0.3013

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.8048 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) 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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