Detailed information for compound 2075276

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 386.534 | Formula: C19H22N4OS2
  • H donors: 1 H acceptors: 3 LogP: 2.67 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(Cc1cccnc1)CC(=O)NC(c1scc(n1)C)Cc1cscc1
  • InChi: 1S/C19H22N4OS2/c1-14-12-26-19(21-14)17(8-15-5-7-25-13-15)22-18(24)11-23(2)10-16-4-3-6-20-9-16/h3-7,9,12-13,17H,8,10-11H2,1-2H3,(H,22,24)
  • InChiKey: NLXWZARYTJXAKN-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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
Schistosoma mansoni ap endonuclease 0.0006 0.0158 0.5018
Treponema pallidum deoxycytidylate deaminase 0.0009 0.0314 1
Entamoeba histolytica hypothetical protein, conserved 0.0009 0.0314 0.0159
Echinococcus multilocularis tRNA specific adenosine deaminase 2 0.0009 0.0314 0.0314
Loa Loa (eye worm) hypothetical protein 0.0009 0.0314 1
Chlamydia trachomatis bifunctional diaminohydroxyphosphoribosylaminopyrimidine deaminase/5-amino-6-(5-phosphoribosylamino) uracil reductase 0.0009 0.0314 0.5
Giardia lamblia Cytosine deaminase, putative 0.0009 0.0314 0.0159
Plasmodium falciparum cytidine and deoxycytidylate deaminase, putative 0.0009 0.0314 1
Schistosoma mansoni dCTP deaminase 0.0009 0.0314 1
Mycobacterium tuberculosis Probable cytidine deaminase Cdd (cytidine aminohydrolase) (cytidine nucleoside deaminase) 0.0186 1 1
Echinococcus granulosus deoxycytidylate deaminase 0.0009 0.0314 0.0314
Mycobacterium tuberculosis Probable bifunctional riboflavin biosynthesis protein RibG : diaminohydroxyphosphoribosylaminopyrimidine deaminase (riboflavin-s 0.0009 0.0314 0.0159
Brugia malayi exodeoxyribonuclease III family protein 0.0006 0.0158 0.0158
Loa Loa (eye worm) dCMP deaminase 0.0009 0.0314 1
Toxoplasma gondii cytidine and deoxycytidylate deaminase zinc-binding region domain-containing protein 0.0186 1 1
Mycobacterium ulcerans cytidine/deoxycytidylate deaminase 0.0009 0.0314 0.0159
Trypanosoma brucei tRNA-sepcific adenosine deaminase 0.0009 0.0314 0.0159
Leishmania major deaminase, putative 0.0009 0.0314 0.0159
Entamoeba histolytica cytidine deaminase, putative 0.0186 1 1
Echinococcus multilocularis cytidine deaminase 0.0186 1 1
Onchocerca volvulus 0.0186 1 1
Echinococcus granulosus cytidine deaminase 0.0186 1 1
Trypanosoma cruzi cytidine deaminase-like protein, putative 0.0186 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0009 0.0314 0.0159
Toxoplasma gondii cytidine and deoxycytidylate deaminase zinc-binding region domain-containing protein 0.0009 0.0314 0.0159
Plasmodium falciparum cytidine deaminase, putative 0.0009 0.0314 1
Mycobacterium ulcerans bifunctional riboflavin biosynthesis protein RibG 0.0009 0.0314 0.0159
Trichomonas vaginalis cytidine deaminase, putative 0.0186 1 1
Leishmania major hypothetical protein, conserved 0.0009 0.0314 0.0159
Trypanosoma brucei cytidine deaminase 0.0186 1 1
Schistosoma mansoni cytidine/deoxycytidylate deaminase-related 0.0009 0.0314 1
Brugia malayi tRNA-specific adenosine deaminase 2 0.0009 0.0314 0.0314
Giardia lamblia Cytidine deaminase 0.0186 1 1
Toxoplasma gondii cytidine and deoxycytidylate deaminase zinc-binding region domain-containing protein 0.0009 0.0314 0.0159
Brugia malayi Cytidine and deoxycytidylate deaminase zinc-binding region family protein 0.0009 0.0314 0.0314
Trypanosoma brucei tRNA-specific adenosine deaminase 0.0009 0.0314 0.0159
Echinococcus multilocularis cytidine and deoxycytidylate deaminase 0.0009 0.0314 0.0314
Trichomonas vaginalis cytidine deaminase, putative 0.0186 1 1
Entamoeba histolytica cytidine/deoxycytidylate deaminase family protein 0.0009 0.0314 0.0159
Trypanosoma cruzi cytidine deaminase-like protein 0.0186 1 1
Leishmania major cytidine deaminase-like protein 0.0186 1 1
Plasmodium vivax cytidine and deoxycytidylate deaminase, putative 0.0009 0.0314 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0006 0.0158 0.0158
Echinococcus granulosus tRNA specific adenosine deaminase 2 0.0009 0.0314 0.0314
Wolbachia endosymbiont of Brugia malayi pyrimidine deaminase and reductase 0.0009 0.0314 1
Toxoplasma gondii CMP/dCMP deaminase, zinc-binding, putative 0.0009 0.0314 0.0159
Mycobacterium ulcerans cytidine deaminase 0.0186 1 1
Brugia malayi dCMP deaminase 0.0009 0.0314 0.0314
Onchocerca volvulus 0.0186 1 1
Loa Loa (eye worm) tRNA-specific adenosine deaminase 2 0.0009 0.0314 1
Trichomonas vaginalis riboflavin-specific deaminase, putative 0.0009 0.0314 0.0159
Schistosoma mansoni cytidine/deoxycytidylate deaminase-related 0.0009 0.0314 1
Onchocerca volvulus 0.0009 0.0314 0.0314
Echinococcus multilocularis deoxycytidylate deaminase 0.0009 0.0314 0.0314
Mycobacterium leprae PROBABLE CYTIDINE DEAMINASE CDD (CYTIDINE AMINOHYDROLASE) (CYTIDINE NUCLEOSIDE DEAMINASE) 0.0186 1 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0006 0.0158 0.5018
Mycobacterium tuberculosis Conserved hypothetical protein 0.0009 0.0314 0.0159
Schistosoma mansoni deoxycytidylate deaminase 0.0009 0.0314 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0006 0.0158 0.0158
Echinococcus granulosus cytidine and deoxycytidylate deaminase 0.0009 0.0314 0.0314
Mycobacterium tuberculosis Possible deaminase 0.0009 0.0314 0.0159
Schistosoma mansoni ap endonuclease 0.0006 0.0158 0.5018
Mycobacterium tuberculosis Possible cytidine/deoxycytidylate deaminase 0.0009 0.0314 0.0159
Onchocerca volvulus Putative deoxycytidylate deaminase 0.0009 0.0314 0.0314

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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