Detailed information for compound 767820

Basic information

Technical information
  • TDR Targets ID: 767820
  • Name: N-(3,4-dichlorophenyl)-2-(1H-imidazo[4,5-b]py ridin-2-ylsulfanyl)acetamide
  • MW: 353.226 | Formula: C14H10Cl2N4OS
  • H donors: 2 H acceptors: 3 LogP: 3.75 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(c(c1)Cl)Cl)CSc1nc2c([nH]1)nccc2
  • InChi: 1S/C14H10Cl2N4OS/c15-9-4-3-8(6-10(9)16)18-12(21)7-22-14-19-11-2-1-5-17-13(11)20-14/h1-6H,7H2,(H,18,21)(H,17,19,20)
  • InChiKey: YMXSORFPDJPSRH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3,4-dichlorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylthio)acetamide
  • N-(3,4-dichlorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanamide
  • ZINC01167741

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
Entamoeba histolytica Flap nuclease, putative 0.0027 0.249 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.1622 0.5
Trichomonas vaginalis ap endonuclease, putative 0.002 0.1622 0.6513
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.1622 0.1622
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.1098 0.1098
Echinococcus granulosus flap endonuclease 1 0.0027 0.249 0.249
Brugia malayi intermediate filament protein 0.0028 0.2601 0.2601
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.1622 0.5
Brugia malayi Flap endonuclease-1 0.0027 0.249 0.249
Echinococcus granulosus lamin dm0 0.0028 0.2601 0.2601
Echinococcus multilocularis lamin 0.0028 0.2601 0.2601
Echinococcus multilocularis flap endonuclease 1 0.0027 0.249 0.249
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 1 1
Echinococcus granulosus lamin 0.0028 0.2601 0.2601
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 1 1
Trichomonas vaginalis ap endonuclease, putative 0.002 0.1622 0.6513
Plasmodium falciparum flap endonuclease 1 0.0027 0.249 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.1622 0.5
Echinococcus granulosus intermediate filament protein 0.0028 0.2601 0.2601
Loa Loa (eye worm) intermediate filament protein 0.0028 0.2601 0.2601
Schistosoma mansoni intermediate filament proteins 0.0028 0.2601 0.2601
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.1622 0.6513
Toxoplasma gondii exonuclease III APE 0.002 0.1622 0.6513
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 1 1
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.1622 0.1622
Schistosoma mansoni ap endonuclease 0.002 0.1622 0.1622
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.1622 0.6513
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 1 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.2542 0.2542
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 1 1
Schistosoma mansoni lamin 0.0028 0.2601 0.2601
Schistosoma mansoni lamin 0.0028 0.2601 0.2601
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0027 0.249 1
Echinococcus multilocularis lamin dm0 0.0028 0.2601 0.2601
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.2601 0.2601
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.1622 0.6513
Trichomonas vaginalis flap endonuclease-1, putative 0.0027 0.249 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.2601 0.2601
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.2601 0.2601
Loa Loa (eye worm) hypothetical protein 0.0013 0.0867 0.0867
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.1622 0.6513
Loa Loa (eye worm) hypothetical protein 0.0014 0.0927 0.0927
Onchocerca volvulus 0.0028 0.2601 0.5
Schistosoma mansoni flap endonuclease-1 0.0025 0.219 0.219
Giardia lamblia Flap structure-specific endonuclease 0.0027 0.249 1
Schistosoma mansoni ap endonuclease 0.002 0.1622 0.1622
Echinococcus multilocularis musashi 0.0028 0.2601 0.2601
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.1622 0.6513
Plasmodium vivax flap endonuclease 1, putative 0.0027 0.249 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 1 1
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0027 0.249 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.1622 0.1622
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.1622 0.1622
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.1622 0.6513
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 1 1
Onchocerca volvulus 0.0028 0.2601 0.5
Loa Loa (eye worm) flap endonuclease-1 0.0027 0.249 0.249
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0027 0.249 1
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0014 0.0927 0.0927
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.1622 0.6513
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.1622 0.5
Loa Loa (eye worm) hypothetical protein 0.0013 0.0867 0.0867
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0014 0.0927 0.0927
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.1098 0.1098
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.1622 0.6513
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0092 1 1
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0027 0.249 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 10 % Inhibition of human NPP1 using p-Nph-5'-TMP as substrate at 10 uM ChEMBL. 25372276

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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