Detailed information for compound 47940

Basic information

Technical information
  • TDR Targets ID: 47940
  • Name: 5-methyl-6-(naphthalen-1-ylmethyl)-2-sulfanyl idene-1H-pyrimidin-4-one
  • MW: 282.36 | Formula: C16H14N2OS
  • H donors: 1 H acceptors: 3 LogP: 4.24 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Sc1nc(Cc2cccc3c2cccc3)c(c(n1)O)C
  • InChi: 1S/C16H14N2OS/c1-10-14(17-16(20)18-15(10)19)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8H,9H2,1H3,(H2,17,18,19,20)
  • InChiKey: DSQYCFQHWYSLTN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-methyl-6-(1-naphthylmethyl)-2-thioxo-1H-pyrimidin-4-one
  • 5-methyl-6-(1-naphthalenylmethyl)-2-thioxo-1H-pyrimidin-4-one
  • AIDS045335
  • 5-methyl-6-(1-naphthylmethyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
  • AIDS-045335

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
Echinococcus multilocularis thyroid hormone receptor alpha 0.0132 0.7513 0.7478
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1964 0.5
Loa Loa (eye worm) norepinephrine transporter 0.0149 0.8802 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.1964 0.185
Echinococcus multilocularis serotonin transporter 0.0149 0.8802 0.8785
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0149 0.8802 1
Echinococcus multilocularis geminin 0.0165 1 1
Loa Loa (eye worm) hypothetical protein 0.0149 0.8802 1
Treponema pallidum sodium- and chloride- dependent transporter 0.0149 0.8802 0.5
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0149 0.8802 0.8802
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.1163 0.1321
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.1964 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1964 0.5
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0122 0.6768 0.6722
Loa Loa (eye worm) hypothetical protein 0.0149 0.8802 1
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.014 0.014
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.1964 0.5
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.1964 0.185
Loa Loa (eye worm) serotonin transporter b 0.0149 0.8802 1
Schistosoma mansoni hypothetical protein 0.0035 0.014 0.014
Schistosoma mansoni hypothetical protein 0.0165 1 1
Schistosoma mansoni thyroid hormone receptor 0.0132 0.7513 0.7513
Brugia malayi hypothetical protein 0.0035 0.014 0.0159
Schistosoma mansoni hypothetical protein 0.0165 1 1
Loa Loa (eye worm) hypothetical protein 0.0149 0.8802 1
Entamoeba histolytica hypothetical protein 0.0035 0.014 0.5
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0122 0.6768 0.6722
Entamoeba histolytica hypothetical protein 0.0035 0.014 0.5
Onchocerca volvulus 0.0149 0.8802 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.1163 0.1321
Schistosoma mansoni sodium/chloride dependent transporter 0.0149 0.8802 0.8802
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.1964 0.1964
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.1163 0.1321
Echinococcus granulosus serotonin transporter 0.0149 0.8802 0.8785
Schistosoma mansoni thyroid hormone receptor 0.0132 0.7513 0.7513
Loa Loa (eye worm) solute carrier family 6 member 4 0.0149 0.8802 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.1163 0.1321
Entamoeba histolytica hypothetical protein 0.0035 0.014 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.1964 0.1964
Entamoeba histolytica hypothetical protein 0.0035 0.014 0.5
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.1964 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1964 0.5
Schistosoma mansoni hypothetical protein 0.0122 0.6768 0.6768

Activities

Activity type Activity value Assay description Source Reference
CC50 (functional) = 145 uM Dose required to reduce the viablity of mock-infected cells by 50% ChEMBL. 9154967
CC50 (functional) = 145 uM Dose required to reduce the viablity of mock-infected cells by 50% ChEMBL. 9154967
EC50 (functional) > 145 uM Dose required to achieve 50% protection of MT-4 cells from the HIV-1 induced cytopathogenicity in mock-infected MT-4 cells ChEMBL. 9154967
EC50 (functional) > 145 uM Dose required to achieve 50% protection of MT-4 cells from the HIV-1 induced cytopathogenicity in mock-infected MT-4 cells ChEMBL. 9154967

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

1 literature reference was collected for this gene.

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