Detailed information for compound 843252

Basic information

Technical information
  • TDR Targets ID: 843252
  • Name: N-(2-fluorophenyl)-2-[[3-[(4-fluorophenyl)met hyl]-4-oxo-[1]benzoxolo[3,2-d]pyrimidin-2-yl] sulfanyl]acetamide
  • MW: 477.483 | Formula: C25H17F2N3O3S
  • H donors: 1 H acceptors: 2 LogP: 5.15 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccccc1F)CSc1nc2c3ccccc3oc2c(=O)n1Cc1ccc(cc1)F
  • InChi: 1S/C25H17F2N3O3S/c26-16-11-9-15(10-12-16)13-30-24(32)23-22(17-5-1-4-8-20(17)33-23)29-25(30)34-14-21(31)28-19-7-3-2-6-18(19)27/h1-12H,13-14H2,(H,28,31)
  • InChiKey: CQCFRMHOOSTGQH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxo-benzofurano[3,2-d]pyrimidin-2-yl]sulfanyl-acetamide
  • N-(2-fluorophenyl)-2-[[3-[(4-fluorophenyl)methyl]-4-oxo-2-benzofurano[3,2-d]pyrimidinyl]thio]acetamide
  • 2-[[3-(4-fluorobenzyl)-4-keto-benzofurano[3,2-d]pyrimidin-2-yl]thio]-N-(2-fluorophenyl)acetamide
  • N-(2-fluorophenyl)-2-[[3-[(4-fluorophenyl)methyl]-4-oxo-[1]benzoxolo[3,2-d]pyrimidin-2-yl]sulfanyl]ethanamide

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
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.006 0.0633
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0118 0.2504 0.2483
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0251 0.5421 0.5408
Schistosoma mansoni cpg binding protein 0.0032 0.0609 0.0608
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0118 0.2504 0.2483
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0251 0.5421 0.5408
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0118 0.2504 0.3939
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0251 0.5421 0.542
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0133 0.2817 0.2797
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.006 0.0633
Brugia malayi ecdysteroid receptor 0.0251 0.5421 1
Brugia malayi nuclear receptor RXR 0.0118 0.2504 0.4592
Loa Loa (eye worm) hypothetical protein 0.0133 0.2817 0.5171
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0076 0.0048
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0251 0.5421 0.542
Loa Loa (eye worm) hypothetical protein 0.0118 0.2504 0.4592
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0251 0.5421 0.5408
Schistosoma mansoni coup transcription factor 0.0251 0.5421 0.542
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0251 0.5421 1
Schistosoma mansoni nuclear receptor 0.0118 0.2504 0.2503
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0119 0.0092
Schistosoma mansoni thyroid hormone receptor 0.0251 0.5421 0.542
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0133 0.2817 0.2797
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0251 0.5421 0.5408
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0251 0.5421 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0118 0.2504 0.2483
Onchocerca volvulus Bile acid receptor homolog 0.0251 0.5421 1
Loa Loa (eye worm) hypothetical protein 0.0133 0.2817 0.5171
Giardia lamblia Histone acetyltransferase GCN5 0.0044 0.0864 0.5
Schistosoma mansoni nuclear hormone receptor 0.0251 0.5421 0.542
Brugia malayi Nuclear hormone receptor E75 0.0118 0.2504 0.4592
Loa Loa (eye worm) hypothetical protein 0.0251 0.5421 1
Schistosoma mansoni nuclear hormone receptor 0.0118 0.2504 0.2503
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0251 0.5421 1
Loa Loa (eye worm) histone methyltransferase 0.001 0.0119 0.0169
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.006 0.0633
Brugia malayi Nuclear hormone receptor-like 1 0.0133 0.2817 0.5171
Brugia malayi photoreceptor-specific nuclear receptor 0.0251 0.5421 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0118 0.2504 0.2483
Brugia malayi nuclear hormone receptor family member nhr-6 0.0118 0.2504 0.4592
Brugia malayi nuclear receptor RXR 0.0133 0.2817 0.5171
Echinococcus multilocularis nuclear receptor nhr 48 0.0118 0.2504 0.2483
Brugia malayi hypothetical protein 0.0118 0.2504 0.4592
Trichomonas vaginalis helicase, putative 0.0007 0.006 0.0633
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0251 0.5421 1
Loa Loa (eye worm) hypothetical protein 0.0118 0.2504 0.4592
Echinococcus multilocularis FTZ F1 alpha 0.0251 0.5421 0.5408
Onchocerca volvulus 0.0118 0.2504 0.3939
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0251 0.5421 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.006 0.0633
Brugia malayi tailless protein 0.0118 0.2504 0.4592
Loa Loa (eye worm) hypothetical protein 0.0133 0.2817 0.5171
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0251 0.5421 1
Loa Loa (eye worm) hypothetical protein 0.0251 0.5421 1
Schistosoma mansoni nuclear receptor 0.0118 0.2504 0.2503
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0048 0.0952 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0251 0.5421 0.5408
Brugia malayi hypothetical protein 0.0133 0.2817 0.5171
Loa Loa (eye worm) hypothetical protein 0.0251 0.5421 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0118 0.2504 0.2503
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0118 0.2504 0.3939
Loa Loa (eye worm) hypothetical protein 0.0133 0.2817 0.5171
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0251 0.5421 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0118 0.2504 0.2483
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0251 0.5421 1
Loa Loa (eye worm) nuclear hormone receptor 0.0118 0.2504 0.4592
Brugia malayi nuclear hormone receptor 0.0118 0.2504 0.4592
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.006 0.0633
Loa Loa (eye worm) steroid hormone receptor 0.0251 0.5421 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0251 0.5421 1
Schistosoma mansoni nuclear hormone receptor 0.0118 0.2504 0.2503
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0251 0.5421 0.542
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0076 0.0074
Schistosoma mansoni RAR-like nuclear receptor 0.0251 0.5421 0.542
Brugia malayi nuclear receptor NHR-88 0.0251 0.5421 1
Plasmodium falciparum histone acetyltransferase GCN5 0.0044 0.0864 0.5
Loa Loa (eye worm) acetyltransferase 0.0163 0.3479 0.6399
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0163 0.3479 0.3478
Echinococcus granulosus FTZ F1 alpha 0.0251 0.5421 0.5408
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.006 0.0633
Trichomonas vaginalis bromodomain-containing protein, putative 0.0048 0.0952 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0048 0.0952 0.0927
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.006 0.0633
Echinococcus multilocularis ecdysone induced protein 78C 0.0251 0.5421 0.5408
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.006 0.0633
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0251 0.5421 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0251 0.5421 1
Brugia malayi CXXC zinc finger family protein 0.0032 0.0609 0.1077
Onchocerca volvulus 0.0251 0.5421 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0118 0.2504 0.2483
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0251 0.5421 0.5408
Schistosoma mansoni bromodomain containing protein 0.0006 0.0028 0.0026
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0251 0.5421 0.5408
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.0609 0.1077
Loa Loa (eye worm) hypothetical protein 0.0118 0.2504 0.4592
Echinococcus granulosus nuclear receptor nhr 48 0.0118 0.2504 0.2483
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0251 0.5421 1
Loa Loa (eye worm) hypothetical protein 0.0251 0.5421 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0118 0.2504 0.2483
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.006 0.0633
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0068 0.1404 0.1403
Brugia malayi nuclear hormone receptor 0.0251 0.5421 1
Loa Loa (eye worm) hypothetical protein 0.0118 0.2504 0.4592
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0251 0.5421 0.5408
Schistosoma mansoni thyroid hormone receptor 0.0251 0.5421 0.542
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0251 0.5421 0.5408
Brugia malayi Nuclear hormone receptor E75 0.0118 0.2504 0.4592
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0119 0.0092
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0251 0.5421 1
Brugia malayi nuclear receptor NHR-67 0.0118 0.2504 0.4592
Loa Loa (eye worm) hypothetical protein 0.0251 0.5421 1
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0118 0.2504 0.4592
Loa Loa (eye worm) hypothetical protein 0.0118 0.2504 0.4592
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.006 0.0633
Loa Loa (eye worm) nuclear receptor NHR-67 0.0118 0.2504 0.4592
Echinococcus granulosus cpg binding protein 0.0034 0.0649 0.0623
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0133 0.2817 0.2816
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0118 0.2504 0.4592
Schistosoma mansoni bromodomain containing protein 0.0006 0.0028 0.0026
Echinococcus multilocularis dnaJ subfamily B 0.0459 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0251 0.5421 1
Brugia malayi hypothetical protein 0.0118 0.2504 0.4592
Loa Loa (eye worm) hypothetical protein 0.0133 0.2817 0.5171
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0076 0.0048
Schistosoma mansoni retinoic acid receptor RXR 0.0251 0.5421 0.542
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0118 0.2504 0.2503
Brugia malayi conserved hypotetical protein 0.0118 0.2504 0.4592
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0251 0.5421 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0251 0.5421 0.542
Loa Loa (eye worm) hypothetical protein 0.0118 0.2504 0.4592
Loa Loa (eye worm) DR-78 0.0118 0.2504 0.4592
Onchocerca volvulus 0.0118 0.2504 0.3939
Loa Loa (eye worm) hypothetical protein 0.0118 0.2504 0.4592
Schistosoma mansoni hypothetical protein 0.0459 1 1
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0076 0.0048
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0118 0.2504 0.2483
Brugia malayi orphan nuclear receptor NR2E1 0.0118 0.2504 0.4592
Echinococcus multilocularis thyroid hormone receptor alpha 0.0251 0.5421 0.5408
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0118 0.2504 0.2483
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0251 0.5421 0.542
Brugia malayi Nuclear hormone receptor-like 1 0.0251 0.5421 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0133 0.2817 0.2816
Echinococcus granulosus ecdysone induced protein 78C 0.0251 0.5421 0.5408
Loa Loa (eye worm) hypothetical protein 0.0251 0.5421 1
Schistosoma mansoni zinc finger protein 0.0118 0.2504 0.2503
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.006 0.0633
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0133 0.2817 0.5171
Schistosoma mansoni cpg binding protein 0.0034 0.0649 0.0648
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0251 0.5421 0.5408
Loa Loa (eye worm) hypothetical protein 0.0251 0.5421 1
Brugia malayi hypothetical protein 0.0133 0.2817 0.5171
Brugia malayi Steroid receptor seven-up type 2 0.0251 0.5421 1
Loa Loa (eye worm) hypothetical protein 0.0118 0.2504 0.4592
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0251 0.5421 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0118 0.2504 0.4592
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.006 0.0633
Schistosoma mansoni steroid hormone receptor ad4bp 0.0251 0.5421 0.542
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0076 0.0048
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0118 0.2504 0.2483
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.006 0.0633
Loa Loa (eye worm) hypothetical protein 0.0118 0.2504 0.4592
Entamoeba histolytica acetyltransferase, GNAT family 0.0044 0.0864 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0251 0.5421 0.542
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.006 0.0633
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0048 0.0952 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0158 0.3378 0.336
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0116 0.0164
Brugia malayi ecdysone receptor 0.0118 0.2504 0.4592
Brugia malayi steroid hormone receptor 0.0251 0.5421 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0251 0.5421 0.5408
Loa Loa (eye worm) hypothetical protein 0.0118 0.2504 0.4592
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0163 0.3479 0.3461
Loa Loa (eye worm) hypothetical protein 0.0118 0.2504 0.4592
Brugia malayi Nuclear hormone receptor-like 1 0.0133 0.2817 0.5171
Brugia malayi nuclear receptor NHR-88 0.0118 0.2504 0.4592
Toxoplasma gondii histone lysine methyltransferase SET1 0.0065 0.1331 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0251 0.5421 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.006 0.0633
Schistosoma mansoni cpg binding protein 0.0034 0.0649 0.0648
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0251 0.5421 0.5408
Brugia malayi acetyltransferase, GNAT family protein 0.0163 0.3479 0.6399
Schistosoma mansoni zinc finger protein 0.0006 0.0028 0.0026
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0251 0.5421 0.5408
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0251 0.5421 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0251 0.5421 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.006 0.0633
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0251 0.5421 1
Loa Loa (eye worm) hypothetical protein 0.0118 0.2504 0.4592
Loa Loa (eye worm) hypothetical protein 0.0118 0.2504 0.4592
Loa Loa (eye worm) hypothetical protein 0.0251 0.5421 1
Echinococcus multilocularis cpg binding protein 0.0034 0.0649 0.0623
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.006 0.0633
Schistosoma mansoni nuclear receptor nhr-48 0.0118 0.2504 0.2503
Onchocerca volvulus Protein ultraspiracle homolog 0.0251 0.5421 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0251 0.5421 1

Activities

No activities found for this compound.

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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