Detailed information for compound 848518

Basic information

Technical information
  • TDR Targets ID: 848518
  • Name: 3-[(4-chlorophenyl)methyl]-2-[(2-fluorophenyl )methylsulfanyl]pteridin-4-one
  • MW: 412.868 | Formula: C20H14ClFN4OS
  • H donors: 0 H acceptors: 3 LogP: 4.06 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)Cn1c(SCc2ccccc2F)nc2c(c1=O)nccn2
  • InChi: 1S/C20H14ClFN4OS/c21-15-7-5-13(6-8-15)11-26-19(27)17-18(24-10-9-23-17)25-20(26)28-12-14-3-1-2-4-16(14)22/h1-10H,11-12H2
  • InChiKey: ILWDDUJVSNYHID-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[(4-chlorophenyl)methyl]-2-[(2-fluorophenyl)methylthio]-4-pteridinone
  • 3-(4-chlorobenzyl)-2-[(2-fluorobenzyl)thio]pteridin-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
Loa Loa (eye worm) hypothetical protein 0.07 0.4702 0.4702
Echinococcus granulosus cyclin dependent kinase 6 0.037 0.2281 0.2281
Loa Loa (eye worm) carboxylesterase 0.0074 0.0114 0.0114
Loa Loa (eye worm) hypothetical protein 0.0074 0.0114 0.0114
Entamoeba histolytica tyrosin kinase, putative 0.0279 0.1614 1
Trichomonas vaginalis conserved hypothetical protein 0.022 0.1183 1
Echinococcus granulosus tyrosine protein kinase Lyn 0.0061 0.0015 0.0015
Echinococcus granulosus semaphorin 5B 0.0503 0.3253 0.3253
Brugia malayi DNA-binding protein LAG-1 0.022 0.1183 0.1183
Echinococcus multilocularis cyclin dependent kinase 6 0.037 0.2281 0.2281
Schistosoma mansoni hypothetical protein 0.022 0.1183 0.141
Trypanosoma brucei STE/STE11 serine/threonine-protein kinase, putative 0.0061 0.0015 1
Echinococcus multilocularis dual specificity testis specific protein kinase 0.0061 0.0015 0.0015
Echinococcus multilocularis exocyst complex component 2 0.022 0.1183 0.1183
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.022 0.1183 1
Echinococcus granulosus dual specificity testis-specific protein kinase 0.0061 0.0015 0.0015
Entamoeba histolytica hypothetical protein 0.022 0.1183 0.7327
Loa Loa (eye worm) hypothetical protein 0.022 0.1183 0.1183
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.022 0.1183 1
Loa Loa (eye worm) hypothetical protein 0.0503 0.3253 0.3253
Brugia malayi Probable exocyst complex component Sec5 0.022 0.1183 0.1183
Loa Loa (eye worm) hypothetical protein 0.022 0.1183 0.1183
Loa Loa (eye worm) hypothetical protein 0.0503 0.3253 0.3253
Schistosoma mansoni protein kinase 0.0061 0.0015 0.0018
Brugia malayi Sema domain containing protein 0.0503 0.3253 0.3253
Echinococcus granulosus activin receptor type 0.0061 0.0015 0.0015
Echinococcus granulosus semaphorin 1A 0.0503 0.3253 0.3253
Brugia malayi Sema domain containing protein 0.0503 0.3253 0.3253
Echinococcus multilocularis transcription factor collier 0.022 0.1183 0.1183
Giardia lamblia Kinase 0.0059 0 0.5
Giardia lamblia Kinase, NEK 0.0059 0 0.5
Brugia malayi Carboxylesterase family protein 0.0074 0.0114 0.0114
Trichomonas vaginalis conserved hypothetical protein 0.022 0.1183 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0114 0.0114
Echinococcus granulosus exocyst complex component 2 0.022 0.1183 0.1183
Echinococcus granulosus acetylcholinesterase 0.0074 0.0114 0.0114
Giardia lamblia Kinase, NEK 0.0059 0 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0074 0.0114 0.0136
Plasmodium falciparum protein kinase, putative 0.0061 0.0015 1
Echinococcus granulosus carboxylesterase 5A 0.0074 0.0114 0.0114
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.022 0.1183 1
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.022 0.1183 1
Schistosoma mansoni semaphorin 5-related 0.0503 0.3253 0.3879
Loa Loa (eye worm) hypothetical protein 0.022 0.1183 0.1183
Loa Loa (eye worm) hypothetical protein 0.0503 0.3253 0.3253
Loa Loa (eye worm) acetylcholinesterase 1 0.0074 0.0114 0.0114
Schistosoma mansoni fibrocystin l 0.022 0.1183 0.141
Echinococcus multilocularis hypothetical protein 0.0503 0.3253 0.3253
Echinococcus multilocularis semaphorin 5B 0.0503 0.3253 0.3253
Trypanosoma brucei protein kinase, putative 0.0061 0.0015 1
Plasmodium vivax protein kinase, putative 0.0059 0 0.5
Schistosoma mansoni serine/threonine protein kinase 0.037 0.2281 0.272
Loa Loa (eye worm) sema domain-containing protein 0.0503 0.3253 0.3253
Schistosoma mansoni protein kinase 0.0061 0.0015 0.0018
Brugia malayi Carboxylesterase family protein 0.0074 0.0114 0.0114
Giardia lamblia Protein 21.1 0.0059 0 0.5
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0061 0.0015 1
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0061 0.0015 1
Loa Loa (eye worm) hypothetical protein 0.0503 0.3253 0.3253
Echinococcus granulosus transcription factor collier 0.022 0.1183 0.1183
Schistosoma mansoni plexin 0.1203 0.8386 1
Trichomonas vaginalis conserved hypothetical protein 0.022 0.1183 1
Echinococcus multilocularis acetylcholinesterase 0.0074 0.0114 0.0114
Brugia malayi hypothetical protein 0.0503 0.3253 0.3253
Schistosoma mansoni hypothetical protein 0.022 0.1183 0.141
Schistosoma mansoni hypothetical protein 0.0503 0.3253 0.3879
Entamoeba histolytica hypothetical protein 0.022 0.1183 0.7327
Trichomonas vaginalis conserved hypothetical protein 0.022 0.1183 1
Entamoeba histolytica protein kinase domain containing protein 0.0061 0.0015 0.0092
Echinococcus granulosus acetylcholinesterase 0.0074 0.0114 0.0114
Entamoeba histolytica hypothetical protein 0.022 0.1183 0.7327
Trichomonas vaginalis conserved hypothetical protein 0.022 0.1183 1
Loa Loa (eye worm) hypothetical protein 0.0503 0.3253 0.3253
Brugia malayi IPT/TIG domain containing protein 0.022 0.1183 0.1183
Toxoplasma gondii calcium dependent protein kinase CDPK8 0.0061 0.0015 1
Echinococcus multilocularis activin receptor type 0.0061 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.022 0.1183 0.1183
Echinococcus multilocularis acetylcholinesterase 0.0074 0.0114 0.0114
Brugia malayi Plexin repeat family protein 0.1203 0.8386 0.8386
Loa Loa (eye worm) hypothetical protein 0.1203 0.8386 0.8386
Schistosoma mansoni plexin 0.07 0.4702 0.5607
Plasmodium vivax tyrosine kinase-like protein, putative 0.0059 0 0.5
Echinococcus multilocularis plexin a4 0.1423 1 1
Schistosoma mansoni hypothetical protein 0.07 0.4702 0.5607
Onchocerca volvulus 0.0503 0.3253 0.3879
Plasmodium vivax tyrosine kinase-like protein, putative 0.0059 0 0.5
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.022 0.1183 1
Schistosoma mansoni protein kinase 0.0061 0.0015 0.0018
Trichomonas vaginalis conserved hypothetical protein 0.022 0.1183 1
Brugia malayi hypothetical protein 0.0503 0.3253 0.3253
Trichomonas vaginalis conserved hypothetical protein 0.022 0.1183 1
Entamoeba histolytica cell surface protease gp63, putative 0.022 0.1183 0.7327
Entamoeba histolytica protein kinase domain containing protein 0.0279 0.1614 1
Loa Loa (eye worm) hypothetical protein 0.0503 0.3253 0.3253
Schistosoma mansoni hypothetical protein 0.0503 0.3253 0.3879
Onchocerca volvulus 0.1203 0.8386 1
Loa Loa (eye worm) sema domain-containing protein 0.0503 0.3253 0.3253
Loa Loa (eye worm) plexin A 0.1423 1 1
Entamoeba histolytica hypothetical protein 0.022 0.1183 0.7327
Echinococcus granulosus plexin a4 0.1423 1 1
Leishmania major protein kinase, putative 0.0061 0.0015 1
Echinococcus multilocularis carboxylesterase 5A 0.0074 0.0114 0.0114

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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