Detailed information for compound 684091

Basic information

Technical information
  • TDR Targets ID: 684091
  • Name: 5-[(2-chlorophenyl)methylsulfanyl]-1,3-dimeth yl-6-propylpyrido[3,2-e]pyrimidine-2,4-dione
  • MW: 389.899 | Formula: C19H20ClN3O2S
  • H donors: 0 H acceptors: 3 LogP: 4.05 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1cnc2c(c1SCc1ccccc1Cl)c(=O)n(c(=O)n2C)C
  • InChi: 1S/C19H20ClN3O2S/c1-4-7-12-10-21-17-15(18(24)23(3)19(25)22(17)2)16(12)26-11-13-8-5-6-9-14(13)20/h5-6,8-10H,4,7,11H2,1-3H3
  • InChiKey: CGPRAGPWQCZLIZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-[(2-chlorophenyl)methylsulfanyl]-1,3-dimethyl-6-propyl-pyrido[3,2-e]pyrimidine-2,4-dione
  • 5-[(2-chlorophenyl)methylthio]-1,3-dimethyl-6-propylpyrido[3,2-e]pyrimidine-2,4-dione
  • 5-[(2-chlorobenzyl)thio]-1,3-dimethyl-6-propyl-pyrido[3,2-e]pyrimidine-2,4-quinone

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) ATP-dependent DNA helicase 0.002 0.285 0.2772
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.2497 0.5
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.002 0.285 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.2497 0.8713
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.285 1
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.002 0.285 0.047
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.285 0.047
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.285 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.285 0.047
Schistosoma mansoni DNA helicase recq1 0.002 0.285 0.285
Entamoeba histolytica recQ family DNA helicase 0.001 0.0108 0.0381
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.2497 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 1 1
Schistosoma mansoni blooms syndrome DNA helicase 0.001 0.0108 0.0108
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.2497 0.2415
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.2497 0.8762
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 1 1
Echinococcus granulosus bloom syndrome protein 0.002 0.285 0.047
Schistosoma mansoni DNA helicase recq5 0.002 0.285 0.285
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.001 0.0108 0.0434
Toxoplasma gondii exonuclease III APE 0.0019 0.2497 0.8762
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0108 0.0381
Schistosoma mansoni ap endonuclease 0.0019 0.2497 0.2497
Giardia lamblia Sgs1 DNA helicase, putative 0.002 0.285 1
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.285 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.2497 1
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.285 1
Entamoeba histolytica recQ family helicase, putative 0.002 0.285 1
Trichomonas vaginalis DNA helicase recq1, putative 0.002 0.285 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.2497 0.8713
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.285 1
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.002 0.285 1
Echinococcus granulosus ATP dependent DNA helicase Q1 0.002 0.285 0.047
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.002 0.285 0.047
Brugia malayi Bloom's syndrome protein homolog 0.002 0.285 0.047
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.285 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 1 1
Echinococcus granulosus ATP dependent DNA helicase Q5 0.002 0.285 0.047
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.2497 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 1 1
Echinococcus multilocularis bloom syndrome protein 0.002 0.285 0.047
Schistosoma mansoni ap endonuclease 0.0019 0.2497 0.2497
Loa Loa (eye worm) RecQ helicase 0.002 0.285 0.2772
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.285 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.2497 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.0108 0.0000000023308
Loa Loa (eye worm) hypothetical protein 0.002 0.285 0.2772
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 1 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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