Detailed information for compound 1826352

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 254.284 | Formula: C15H14N2O2
  • H donors: 2 H acceptors: 2 LogP: 4.06 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCc1cc(/N=N/c2ccc(cc2)O)ccc1O
  • InChi: 1S/C15H14N2O2/c1-2-3-11-10-13(6-9-15(11)19)17-16-12-4-7-14(18)8-5-12/h2,4-10,18-19H,1,3H2/b17-16+
  • InChiKey: BNNXNILTXSMNNL-WUKNDPDISA-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
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0555 0.6263 0.8037
Trichomonas vaginalis glucosylceramidase, putative 0.0383 0.41 0.48
Trichomonas vaginalis glucosylceramidase, putative 0.0555 0.6263 1
Brugia malayi Alpha-L-fucosidase family protein 0.0514 0.5751 0.6803
Trichomonas vaginalis glucosylceramidase, putative 0.0555 0.6263 1
Trichomonas vaginalis glucosylceramidase, putative 0.0364 0.3852 0.4205
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0364 0.3852 0.4205
Echinococcus multilocularis carbonic anhydrase 0.0291 0.2928 0.2928
Echinococcus granulosus carbonic anhydrase 0.0291 0.2928 0.2928
Trichomonas vaginalis glucosylceramidase, putative 0.0364 0.3852 0.4205
Trichomonas vaginalis glucosylceramidase, putative 0.0555 0.6263 1
Schistosoma mansoni carbonic anhydrase-related 0.0291 0.2928 0.4137
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0619 0.7077 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0619 0.7077 1
Echinococcus multilocularis carbonic anhydrase 0.0291 0.2928 0.2928
Trichomonas vaginalis glucosylceramidase, putative 0.0555 0.6263 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0619 0.7077 0.5
Loa Loa (eye worm) carbonic anhydrase 3 0.0619 0.7077 1
Trichomonas vaginalis glucosylceramidase, putative 0.0555 0.6263 1
Echinococcus granulosus carbonic anhydrase II 0.0619 0.7077 0.7077
Echinococcus multilocularis carbonic anhydrase 0.0291 0.2928 0.2928
Echinococcus granulosus carbonic anhydrase 0.0291 0.2928 0.2928
Plasmodium falciparum carbonic anhydrase 0.0291 0.2928 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0383 0.41 0.48
Echinococcus granulosus carbonic anhydrase 0.0291 0.2928 0.2928
Schistosoma mansoni alpha-l-fucosidase 0.0514 0.5751 0.8126
Loa Loa (eye worm) alpha-L-fucosidase 0.0514 0.5751 0.6803
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0619 0.7077 1
Trichomonas vaginalis glucosylceramidase, putative 0.0364 0.3852 0.4205
Mycobacterium ulcerans alpha-L-fucosidase 0.085 1 1
Schistosoma mansoni carbonic anhydrase 0.0291 0.2928 0.4137
Echinococcus multilocularis fucosidase, alpha L 1, tissue 0.085 1 1
Schistosoma mansoni carbonic anhydrase-related 0.0291 0.2928 0.4137
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0619 0.7077 1
Trichomonas vaginalis glucosylceramidase, putative 0.0364 0.3852 0.4205
Schistosoma mansoni carbonic anhydrase-related 0.0291 0.2928 0.4137
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0619 0.7077 1
Trichomonas vaginalis glucosylceramidase, putative 0.0364 0.3852 0.4205
Onchocerca volvulus Glucosylceramidase homolog 0.0364 0.3852 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0555 0.6263 1
Trypanosoma brucei carbonic anhydrase-like protein 0.0619 0.7077 0.5
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0555 0.6263 0.8037
Echinococcus multilocularis carbonic anhydrase II 0.0619 0.7077 0.7077
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0619 0.7077 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0364 0.3852 0.4205
Toxoplasma gondii hypothetical protein 0.0291 0.2928 1
Schistosoma mansoni hypothetical protein 0.0291 0.2928 0.4137
Leishmania major carbonic anhydrase-like protein 0.0619 0.7077 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Antibiofilm activity against Candida albicans SC5314 at 8 to 60 ug/ml after 24 hrs by crystal violet staining method relative to control ChEMBL. 23974017
Activity (functional) Induction of degradation of Candida albicans SC5314 biofilm at 20 ug/ml after 24 hrs by XTT assay relative to vehicle-treated control ChEMBL. 23974017
MIC100 (functional) = 20 ug ml-1 Antimicrobial activity against Candida albicans SC5314 after 24 hrs by microbroth dilution method ChEMBL. 23974017

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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