Detailed information for compound 1724791

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 343.332 | Formula: C21H13NO4
  • H donors: 0 H acceptors: 3 LogP: 2.83 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)C#Cc1ccc2c(c1)c(=O)n(c1c2C(=O)c2c1cccc2)C
  • InChi: 1S/C21H13NO4/c1-22-19-14-5-3-4-6-15(14)20(24)18(19)13-9-7-12(8-10-17(23)26-2)11-16(13)21(22)25/h3-7,9,11H,1-2H3
  • InChiKey: SKAFEUQQPVTMMK-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
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0064 0.9308 0.9293
Schistosoma mansoni neuroligin 3 (S09 family) 0.0012 0.0406 0.021
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0064 0.9308 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.0012 0.0406 1
Mycobacterium leprae putative cytochrome p450 0.001 0.02 0.5
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0012 0.0406 0.021
Loa Loa (eye worm) hypothetical protein 0.0012 0.0406 0.021
Toxoplasma gondii cytochrome p450 superfamily protein 0.001 0.02 1
Schistosoma mansoni gliotactin 0.0012 0.0406 0.021
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0012 0.0406 1
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0012 0.0406 0.021
Brugia malayi Carboxylesterase family protein 0.0012 0.0406 0.021
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0064 0.9308 0.9293
Onchocerca volvulus 0.0012 0.0406 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0012 0.0406 0.021
Leishmania major cytochrome p450-like protein 0.0019 0.1641 0.1582
Loa Loa (eye worm) hypothetical protein 0.0012 0.0406 0.021
Onchocerca volvulus 0.0012 0.0406 0.5
Schistosoma mansoni BC026374 protein (S09 family) 0.0012 0.0406 0.021
Brugia malayi Cytochrome P450 family protein 0.0019 0.1641 0.147
Echinococcus multilocularis BC026374 protein (S09 family) 0.0012 0.0406 0.021
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0012 0.0406 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.9308 1
Onchocerca volvulus 0.0012 0.0406 0.5
Brugia malayi hypothetical protein 0.0012 0.0406 0.021
Onchocerca volvulus 0.0012 0.0406 0.5
Brugia malayi Carboxylesterase family protein 0.0012 0.0406 0.021
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0064 0.9308 0.9293
Schistosoma mansoni acetylcholinesterase 0.0012 0.0406 0.021
Brugia malayi Carboxylesterase family protein 0.0012 0.0406 0.021
Echinococcus granulosus para nitrobenzyl esterase 0.0012 0.0406 0.021
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0064 0.9308 0.9293
Brugia malayi Cytochrome P450 family protein 0.0029 0.3337 0.3201
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.9308 1
Trypanosoma cruzi cytochrome P450, putative 0.0019 0.1641 0.1582
Echinococcus granulosus transcription factor Dp 1 0.0037 0.4737 0.4629
Loa Loa (eye worm) hypothetical protein 0.0012 0.0406 0.021
Trypanosoma brucei cytochrome P450, putative 0.0019 0.1641 0.1582
Loa Loa (eye worm) carboxylesterase 0.0012 0.0406 0.021
Loa Loa (eye worm) carboxylesterase 0.0012 0.0406 0.021
Loa Loa (eye worm) hypothetical protein 0.0012 0.0406 0.021
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.1641 0.147
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.1641 0.147
Mycobacterium leprae Conserved hypothetical protein 0.001 0.02 0.5
Brugia malayi Carboxylesterase family protein 0.0012 0.0406 0.021
Onchocerca volvulus 0.0012 0.0406 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0012 0.0406 0.021
Echinococcus granulosus BC026374 protein S09 family 0.0012 0.0406 0.021
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0012 0.0406 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0012 0.0406 0.021
Loa Loa (eye worm) hypothetical protein 0.0012 0.0406 0.021
Trypanosoma cruzi cytochrome P450, putative 0.0019 0.1641 0.1582
Loa Loa (eye worm) hypothetical protein 0.0012 0.0406 0.021
Echinococcus multilocularis neuroligin 0.0012 0.0406 0.021
Echinococcus multilocularis transcription factor Dp 1 0.0037 0.4737 0.4629
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0019 0.1641 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0012 0.0406 0.021
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.9308 1
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0064 0.9308 0.9293
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0064 0.9308 0.5
Echinococcus granulosus neuroligin 0.0012 0.0406 0.021
Mycobacterium ulcerans carboxylesterase, LipT 0.0012 0.0406 0.1425
Trichomonas vaginalis spcc417.12 protein, putative 0.0012 0.0406 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0029 0.3337 0.3201
Loa Loa (eye worm) CYP4Cod1 0.0019 0.1641 0.147
Brugia malayi Cytochrome P450 family protein 0.0019 0.1641 0.147
Loa Loa (eye worm) hypothetical protein 0.0012 0.0406 0.021

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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