Detailed information for compound 267827

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 301.342 | Formula: C19H15N3O
  • H donors: 1 H acceptors: 3 LogP: 3.96 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)c1cnn2c1nc(cc2O)c1ccccc1
  • InChi: 1S/C19H15N3O/c1-13-6-5-9-15(10-13)16-12-20-22-18(23)11-17(21-19(16)22)14-7-3-2-4-8-14/h2-12,23H,1H3
  • InChiKey: STHUHDPXLQLJFT-UHFFFAOYSA-N  


Substructure search Similarity search

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 cruzi ubiquitin-conjugating enzyme E2, putative 0.0038 0.2462 1
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0038 0.2462 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0034 0.1995 0.1995
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0038 0.2462 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0409 0.5
Brugia malayi Cytochrome P450 family protein 0.0034 0.1995 0.1995
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0038 0.2462 1
Echinococcus granulosus acetylcholinesterase 0.0101 1 1
Trypanosoma brucei cytochrome P450, putative 0.0023 0.0744 0.1633
Loa Loa (eye worm) carboxylesterase 0.0101 1 1
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0409 0.1661
Loa Loa (eye worm) CYP4Cod1 0.0023 0.0744 0.0744
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0038 0.2462 0.2462
Loa Loa (eye worm) hypothetical protein 0.0101 1 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0409 0.5
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0038 0.2462 0.2462
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0038 0.2462 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.0409 0.5494
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0038 0.2462 0.2462
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0409 0.0409
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0409 0.1661
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0038 0.2462 1
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0038 0.2462 1
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.0744 0.1633
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0038 0.2462 0.2462
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0409 0.0409
Brugia malayi Cytochrome P450 family protein 0.0023 0.0744 0.0744
Onchocerca volvulus 0.0017 0 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0101 1 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0409 0.5
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0038 0.2462 1
Echinococcus multilocularis carboxylesterase 5A 0.0101 1 1
Onchocerca volvulus 0.0017 0 0.5
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0409 0.0409
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.0409 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0023 0.0744 1
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0038 0.2462 1
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0038 0.2462 0.2462
Schistosoma mansoni ap endonuclease 0.0021 0.0409 0.0409
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0744 0.0744
Echinococcus multilocularis acetylcholinesterase 0.0101 1 1
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0038 0.2462 0.2462
Echinococcus multilocularis acetylcholinesterase 0.0101 1 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0409 0.0409
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.0744 0.1633
Leishmania major cytochrome p450-like protein 0.0023 0.0744 0.1633
Schistosoma mansoni ap endonuclease 0.0021 0.0409 0.0409
Onchocerca volvulus 0.0017 0 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0744 0.0744
Brugia malayi Cytochrome P450 family protein 0.0023 0.0744 0.0744
Onchocerca volvulus 0.0017 0 0.5
Echinococcus granulosus carboxylesterase 5A 0.0101 1 1
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0038 0.2462 1
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0038 0.2462 0.2462
Echinococcus granulosus acetylcholinesterase 0.0101 1 1
Onchocerca volvulus 0.0017 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0101 1 1
Loa Loa (eye worm) acetylcholinesterase 1 0.0101 1 1
Brugia malayi Carboxylesterase family protein 0.0101 1 1

Activities

Activity type Activity value Assay description Source Reference
MAC (functional) = 1 ug ml-1 In vitro antischistosomal activity, minimum active concentration to cause severe damage or death of worms at 96 h against Schistosoma mansoni ChEMBL. 7241518
MAC (functional) = 1 ug ml-1 In vitro antischistosomal activity, minimum active concentration to cause severe damage or death of worms at 96 h against Schistosoma mansoni ChEMBL. 7241518

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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