Detailed information for compound 1123901

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 282.294 | Formula: C16H14N2O3
  • H donors: 0 H acceptors: 2 LogP: 2 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C([C@@H]1COC(=N1)c1cccnc1)OCc1ccccc1
  • InChi: 1S/C16H14N2O3/c19-16(21-10-12-5-2-1-3-6-12)14-11-20-15(18-14)13-7-4-8-17-9-13/h1-9,14H,10-11H2/t14-/m0/s1
  • InChiKey: FVWPNWPRJXTCJE-AWEZNQCLSA-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
Trichomonas vaginalis sucrase-isomaltase, putative 0.0038 0.1518 1
Brugia malayi intermediate filament protein 0.0026 0.0781 0.0781
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0143 0.8274 0.8274
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.1518 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0143 0.8274 0.9729
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0038 0.1518 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0143 0.8274 0.8127
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.1518 1
Leishmania major alpha glucosidase II subunit, putative 0.0038 0.1518 1
Echinococcus multilocularis tar DNA binding protein 0.0061 0.3049 0.246
Schistosoma mansoni tar DNA-binding protein 0.0061 0.3049 0.2945
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0038 0.1518 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0143 0.8274 0.9729
Onchocerca volvulus 0.0026 0.0781 0.1444
Echinococcus granulosus neutral alpha glucosidase AB 0.0038 0.1518 0.08
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.1518 1
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.1518 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0143 0.8274 0.8274
Echinococcus multilocularis lysosomal alpha glucosidase 0.017 1 1
Loa Loa (eye worm) TAR-binding protein 0.0061 0.3049 0.3049
Echinococcus multilocularis lysosomal alpha glucosidase 0.017 1 1
Schistosoma mansoni alpha-glucosidase 0.0146 0.8482 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.1518 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0781 0.0781
Echinococcus granulosus lysosomal alpha glucosidase 0.017 1 1
Loa Loa (eye worm) RNA binding protein 0.0061 0.3049 0.3049
Trypanosoma brucei glucosidase, putative 0.0038 0.1518 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0143 0.8274 0.9729
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.1518 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.075 0.075
Trichomonas vaginalis maltase-glucoamylase, putative 0.0038 0.1518 1
Brugia malayi RNA binding protein 0.0061 0.3049 0.3049
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0038 0.1518 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0038 0.1518 0.08
Schistosoma mansoni tar DNA-binding protein 0.0061 0.3049 0.2945
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.017 1 1
Schistosoma mansoni tar DNA-binding protein 0.0061 0.3049 0.2945
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0143 0.8274 0.8127
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0038 0.1518 0.1518
Echinococcus granulosus tar DNA binding protein 0.0061 0.3049 0.246
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0781 0.0781
Schistosoma mansoni tar DNA-binding protein 0.0061 0.3049 0.2945
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 0.3049 0.3049
Brugia malayi Glycosyl hydrolases family 31 protein 0.0038 0.1518 0.1518
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0038 0.1518 1
Onchocerca volvulus 0.0026 0.0781 0.1444
Schistosoma mansoni alpha-glucosidase 0.0146 0.8482 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0781 0.0781
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.1518 1
Onchocerca volvulus 0.0098 0.5404 1
Brugia malayi TAR-binding protein 0.0061 0.3049 0.3049
Schistosoma mansoni tar DNA-binding protein 0.0061 0.3049 0.2945
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0038 0.1518 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0143 0.8274 0.8127
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0781 0.0781
Schistosoma mansoni alpha glucosidase 0.0038 0.1518 0.0958
Brugia malayi RNA recognition motif domain containing protein 0.0061 0.3049 0.3049
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0143 0.8274 0.8127

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 53.3 uM Antimycobacterial activity against Mycobacterium tuberculosis H37Rv ATCC 27294 in GAS medium after 1 week by microplate alamar blue assay ChEMBL. 20116900
MIC (functional) = 92.9 uM Antimycobacterial activity against Mycobacterium tuberculosis H37Rv ATCC 27294 in GAST medium after 1 week by microplate alamar blue assay ChEMBL. 20116900

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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