Detailed information for compound 1571050

Basic information

Technical information
  • TDR Targets ID: 1571050
  • Name: 3-(2-methoxyethyl)-7-[4-(phenylmethyl)piperaz ine-1-carbonyl]-2-sulfanylidene-1H-quinazolin -4-one
  • MW: 438.543 | Formula: C23H26N4O3S
  • H donors: 1 H acceptors: 2 LogP: 1.85 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCn1c(=S)[nH]c2c(c1=O)ccc(c2)C(=O)N1CCN(CC1)Cc1ccccc1
  • InChi: 1S/C23H26N4O3S/c1-30-14-13-27-22(29)19-8-7-18(15-20(19)24-23(27)31)21(28)26-11-9-25(10-12-26)16-17-5-3-2-4-6-17/h2-8,15H,9-14,16H2,1H3,(H,24,31)
  • InChiKey: PCGAPUYWAFOFKT-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(2-methoxyethyl)-7-[4-(phenylmethyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one
  • 3-(2-methoxyethyl)-7-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-2-thioxo-1H-quinazolin-4-one
  • 7-[4-(benzyl)piperazine-1-carbonyl]-3-(2-methoxyethyl)-2-thioxo-1H-quinazolin-4-one
  • 3-(2-methoxyethyl)-7-[4-(phenylmethyl)piperazin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one

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
Onchocerca volvulus Bile acid receptor homolog 0.0118 0.2754 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0118 0.2754 0.2754
Brugia malayi hypothetical protein 0.0056 0.0283 0.0283
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0118 0.2754 0.2544
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0118 0.2754 0.2754
Schistosoma mansoni nuclear hormone receptor 0.0118 0.2754 0.2544
Onchocerca volvulus 0.0118 0.2754 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0118 0.2754 0.2754
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0118 0.2754 0.2754
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0118 0.2754 0.2544
Trypanosoma brucei nicotinate phosphoribosyltransferase, putative 0.0056 0.0288 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0118 0.2754 0.2544
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0062 0.0548 0.0272
Brugia malayi nuclear receptor RXR 0.0056 0.0283 0.0283
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0118 0.2754 0.2544
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0118 0.2754 0.2754
Loa Loa (eye worm) pre-B cell enhancing factor 0.0301 1 1
Brugia malayi hypothetical protein 0.0062 0.0548 0.0548
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0118 0.2754 0.2754
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0118 0.2754 0.2754
Schistosoma mansoni retinoic acid receptor RXR 0.0118 0.2754 0.2544
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0118 0.2754 0.2544
Schistosoma mansoni RAR-like nuclear receptor 0.0118 0.2754 0.2544
Brugia malayi Nuclear hormone receptor-like 1 0.0062 0.0548 0.0548
Brugia malayi nuclear hormone receptor family member odr-7 0.0056 0.0283 0.0283
Loa Loa (eye worm) hypothetical protein 0.0118 0.2754 0.2754
Brugia malayi steroid hormone receptor 0.0118 0.2754 0.2754
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0118 0.2754 0.2544
Plasmodium falciparum nicotinate phosphoribosyltransferase, putative 0.0056 0.0288 0.5
Brugia malayi Nuclear hormone receptor E75 0.0056 0.0283 0.0283
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0062 0.0548 0.0272
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0118 0.2754 0.2754
Brugia malayi nuclear receptor NHR-88 0.0056 0.0283 0.0283
Loa Loa (eye worm) hypothetical protein 0.0056 0.0283 0.0283
Loa Loa (eye worm) hypothetical protein 0.0062 0.0548 0.0548
Mycobacterium tuberculosis Nicotinic acid phosphoribosyltransferase PncB1 0.0056 0.0288 0.5
Loa Loa (eye worm) hypothetical protein 0.0062 0.0548 0.0548
Mycobacterium tuberculosis Nicotinic acid phosphoribosyltransferase PncB2 0.0056 0.0288 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0118 0.2754 0.2754
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0118 0.2754 0.2754
Brugia malayi hypothetical protein 0.0062 0.0548 0.0548
Loa Loa (eye worm) hypothetical protein 0.0056 0.0283 0.0283
Loa Loa (eye worm) hypothetical protein 0.0118 0.2754 0.2754
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0118 0.2754 0.2544
Brugia malayi Nuclear hormone receptor E75 0.0056 0.0283 0.0283
Brugia malayi nuclear receptor RXR 0.0062 0.0548 0.0548
Loa Loa (eye worm) hypothetical protein 0.0118 0.2754 0.2754
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0118 0.2754 0.2754
Echinococcus granulosus nicotinamide phosphoribosyltransferase 0.0301 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0118 0.2754 0.2544
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0118 0.2754 0.2754
Loa Loa (eye worm) hypothetical protein 0.0056 0.0283 0.0283
Loa Loa (eye worm) hypothetical protein 0.0062 0.0548 0.0548
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0062 0.0548 0.0272
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0118 0.2754 0.2754
Brugia malayi nuclear receptor NHR-88 0.0118 0.2754 0.2754
Trypanosoma cruzi nicotinate phosphoribosyltransferase, putative 0.0056 0.0288 0.5
Loa Loa (eye worm) nuclear hormone receptor 0.0056 0.0283 0.0283
Echinococcus multilocularis ecdysone induced protein 78C 0.0118 0.2754 0.2544
Loa Loa (eye worm) hypothetical protein 0.0056 0.0283 0.0283
Echinococcus granulosus ecdysone induced protein 78C 0.0118 0.2754 0.2544
Loa Loa (eye worm) hypothetical protein 0.0118 0.2754 0.2754
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0118 0.2754 0.2754
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0062 0.0548 0.0548
Loa Loa (eye worm) hypothetical protein 0.0062 0.0548 0.0548
Brugia malayi nuclear receptor NHR-67 0.0056 0.0283 0.0283
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0118 0.2754 0.2754
Loa Loa (eye worm) hypothetical protein 0.0056 0.0283 0.0283
Brugia malayi ecdysone receptor 0.0056 0.0283 0.0283
Loa Loa (eye worm) hypothetical protein 0.0056 0.0283 0.0283
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0118 0.2754 0.2544
Trichomonas vaginalis nicotinate phosphoribosyltransferase, putative 0.0056 0.0288 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0118 0.2754 0.2544
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0118 0.2754 0.2544
Echinococcus multilocularis FTZ F1 alpha 0.0118 0.2754 0.2544
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0118 0.2754 0.2544
Loa Loa (eye worm) steroid hormone receptor 0.0118 0.2754 0.2754
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0118 0.2754 0.2544
Loa Loa (eye worm) hypothetical protein 0.0056 0.0283 0.0283
Loa Loa (eye worm) hypothetical protein 0.0062 0.0548 0.0548
Loa Loa (eye worm) hypothetical protein 0.0056 0.0283 0.0283
Leishmania major nicotinate phosphoribosyltransferase, putative 0.0056 0.0288 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0118 0.2754 0.2754
Schistosoma mansoni steroid hormone receptor ad4bp 0.0118 0.2754 0.2544
Schistosoma mansoni nicotinate phosphoribosyltransferase related pre-B cell enhancing factor 0.0301 1 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0283 0.0283
Brugia malayi nuclear hormone receptor 0.0118 0.2754 0.2754
Loa Loa (eye worm) hypothetical protein 0.0118 0.2754 0.2754
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0118 0.2754 0.2544
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0118 0.2754 0.2544
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0118 0.2754 1
Brugia malayi ecdysteroid receptor 0.0118 0.2754 0.2754
Echinococcus granulosus FTZ F1 alpha 0.0118 0.2754 0.2544
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0062 0.0548 0.0272
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0118 0.2754 0.2754
Schistosoma mansoni coup transcription factor 0.0118 0.2754 0.2544
Schistosoma mansoni thyroid hormone receptor 0.0118 0.2754 0.2544
Loa Loa (eye worm) hypothetical protein 0.0118 0.2754 0.2754
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0118 0.2754 0.2754
Loa Loa (eye worm) hypothetical protein 0.0056 0.0283 0.0283
Brugia malayi Nuclear hormone receptor-like 1 0.0118 0.2754 0.2754
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0118 0.2754 0.2544
Loa Loa (eye worm) DR-78 0.0056 0.0283 0.0283
Treponema pallidum nicotinate phosphoribosyltransferase 0.0056 0.0288 0.5
Brugia malayi tailless protein 0.0056 0.0283 0.0283
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0118 0.2754 0.2544
Loa Loa (eye worm) nuclear receptor NHR-67 0.0056 0.0283 0.0283
Onchocerca volvulus Protein ultraspiracle homolog 0.0118 0.2754 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0283 0.0283
Brugia malayi nuclear hormone receptor family member nhr-6 0.0056 0.0283 0.0283
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0118 0.2754 0.2544
Echinococcus multilocularis nicotinamide phosphoribosyltransferase 0.0301 1 1
Brugia malayi hypothetical protein 0.0056 0.0283 0.0283
Loa Loa (eye worm) hypothetical protein 0.0056 0.0283 0.0283
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0118 0.2754 0.2544
Schistosoma mansoni thyroid hormone receptor 0.0118 0.2754 0.2544
Brugia malayi conserved hypotetical protein 0.0056 0.0283 0.0283
Schistosoma mansoni nicotinate phosphoribosyltransferase 0.0056 0.0288 0.0005
Loa Loa (eye worm) hypothetical protein 0.0056 0.0283 0.0283
Loa Loa (eye worm) hypothetical protein 0.0118 0.2754 0.2754
Brugia malayi nuclear hormone receptor 0.0056 0.0283 0.0283
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0056 0.0283 0.0283
Echinococcus multilocularis thyroid hormone receptor alpha 0.0118 0.2754 0.2544
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0118 0.2754 0.2754
Brugia malayi Nuclear hormone receptor-like 1 0.0062 0.0548 0.0548
Loa Loa (eye worm) hypothetical protein 0.0118 0.2754 0.2754
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0056 0.0283 0.0283
Schistosoma mansoni nicotinate phosphoribosyltransferase related pre-B cell enhancing factor 0.0056 0.0288 0.0005
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0118 0.2754 0.2754
Brugia malayi Steroid receptor seven-up type 2 0.0118 0.2754 0.2754
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0118 0.2754 0.2754
Entamoeba histolytica nicotinate phosphoribosyltransferase, putative 0.0056 0.0288 0.5
Brugia malayi orphan nuclear receptor NR2E1 0.0056 0.0283 0.0283

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 89.1251 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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