Detailed information for compound 1797581

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 414.413 | Formula: C23H18N4O4
  • H donors: 0 H acceptors: 4 LogP: 3.88 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)c1onc(c1)C
  • InChi: 1S/C23H18N4O4/c1-15-11-20(31-27-15)23(28-2)17-8-4-6-10-19(17)30-22-12-21(25-14-26-22)29-18-9-5-3-7-16(18)13-24/h3-12,14,23H,1-2H3
  • InChiKey: RCLSEJJLEHEOKZ-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
Trypanosoma brucei 6-phosphofructo-2-kinase 2 0.0426 0.9826 0.9824
Schistosoma mansoni hypothetical protein 0.0015 0.0041 0.0041
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0111 0.0111
Echinococcus multilocularis GPCR, family 2 0.0015 0.0041 0.0041
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0111 0.5
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0185 0.4081 0.4015
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0111 0.5
Mycobacterium ulcerans fructose-2,6-bisphosphatase GpmB 0.0256 0.5769 1
Giardia lamblia Hypothetical protein 0.0256 0.5769 1
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0426 0.9826 0.9824
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0111 0.0111
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0111 0.0193
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0111 0.5
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.0426 0.9826 0.9824
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0111 0.0111
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0041 0.0041
Schistosoma mansoni hypothetical protein 0.0015 0.0041 0.0041
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0111 0.5
Schistosoma mansoni ap endonuclease 0.0018 0.0111 0.0111
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0185 0.4081 0.4015
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0433 1 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0041 0.0041
Schistosoma mansoni hypothetical protein 0.0015 0.0041 0.0041
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0433 1 1
Mycobacterium ulcerans hypothetical protein 0.0256 0.5769 1
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0433 1 1
Schistosoma mansoni 6-phosphofructokinase 0.0433 1 1
Echinococcus multilocularis 6 phosphofructo 2 kinase:fructose 2 0.0433 1 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0111 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.083 0.083
Giardia lamblia Hypothetical protein 0.0256 0.5769 1
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0185 0.4081 0.4015
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0465 0.5601
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0041 0.0041
Onchocerca volvulus 0.0433 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.083 1
Echinococcus granulosus GPCR family 2 0.0015 0.0041 0.0041
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein 0.0185 0.4081 0.4015
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0111 0.1343
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0111 0.5
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0433 1 1
Loa Loa (eye worm) hypothetical protein 0.0426 0.9826 0.9826
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.0426 0.9826 0.9824
Schistosoma mansoni ap endonuclease 0.0018 0.0111 0.0111
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.083 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0041 0.0041
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0041 0.0041
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0041 0.0497
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.0256 0.5769 1
Toxoplasma gondii exonuclease III APE 0.0018 0.0111 0.5
Schistosoma mansoni hypothetical protein 0.0033 0.0465 0.0465
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.083 0.083
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0041 0.0041
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0111 0.5
Loa Loa (eye worm) hypothetical protein 0.0248 0.5595 0.5595
Schistosoma mansoni hypothetical protein 0.0015 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0433 1 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0041 0.0497
Loa Loa (eye worm) hypothetical protein 0.0033 0.0465 0.0465

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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