Detailed information for compound 871639

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 349.183 | Formula: C14H13BrN4O2
  • H donors: 1 H acceptors: 3 LogP: 2.22 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=C1C(=Nc2n(C1c1cccc(c1)Br)ncn2)C)O
  • InChi: 1S/C14H13BrN4O2/c1-8-11(13(20)21-2)12(9-4-3-5-10(15)6-9)19-14(18-8)16-7-17-19/h3-7,12,20H,1-2H3
  • InChiKey: PKVTZVHTFPIYMA-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
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 1 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0288 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 1 1
Echinococcus multilocularis fructose bisphosphate aldolase class I 0.0268 0.9266 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 1 1
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0268 0.9266 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 1 1
Schistosoma mansoni fructose 16-bisphosphate aldolase 0.0268 0.9266 1
Loa Loa (eye worm) hypothetical protein 0.0163 0.5309 0.573
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0375 0.5
Loa Loa (eye worm) hypothetical protein 0.0108 0.3232 0.3488
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 1 1
Echinococcus granulosus fructose bisphosphate aldolase class I 0.0268 0.9266 1
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 0.016 0.5162 0.5516
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0288 1 1
Schistosoma mansoni fructose 16-bisphosphate aldolase 0.0268 0.9266 1
Loa Loa (eye worm) fructose-bisphosphate aldolase 1 0.0268 0.9266 1
Echinococcus multilocularis fructose 1,6 bisphosphate aldolase 0.0268 0.9266 1
Echinococcus multilocularis pyruvate kinase 0.0033 0.0375 0.0285
Echinococcus granulosus fructose 16 bisphosphate aldolase 0.0268 0.9266 1
Schistosoma mansoni NAALADASE L peptidase (M28 family) 0.0105 0.3085 0.3048
Echinococcus multilocularis pyruvate kinase 0.0033 0.0375 0.0285
Loa Loa (eye worm) hypothetical protein 0.0149 0.4761 0.5138
Treponema pallidum fructose-bisphosphate aldolase 0.0288 1 0.5
Trypanosoma brucei fructose-bisphosphate aldolase, glycosomal, putative 0.0268 0.9266 1
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0375 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 1 1
Echinococcus multilocularis fructose 1,6 bisphosphate aldolase 0.0268 0.9266 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0375 0.0405
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.014 0.4443 1
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0268 0.9266 1
Toxoplasma gondii fructose-1,6-bisphosphate aldolase 0.0268 0.9266 1
Plasmodium falciparum fructose-bisphosphate aldolase 0.0268 0.9266 1
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0375 0.0405
Loa Loa (eye worm) fructose-bisphosphate aldolase 2 0.0268 0.9266 1
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0375 0.5
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0375 0.0405
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.014 0.4443 1
Leishmania major fructose-1,6-bisphosphate aldolase 0.0268 0.9266 1
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0268 0.9266 1
Toxoplasma gondii fructose-1,6-bisphosphate aldolase 0.0268 0.9266 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.014 0.4443 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 1 1
Echinococcus granulosus fructose 16 bisphosphate aldolase 0.0268 0.9266 1
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0375 0.0405
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0268 0.9266 1
Brugia malayi fructose-bisphosphate aldolase 1 0.0268 0.9266 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 1 1
Chlamydia trachomatis pyruvate kinase 0.0033 0.0375 0.5
Toxoplasma gondii fructose-bisphosphate aldolase, putative 0.0268 0.9266 1
Echinococcus granulosus fructose 16 bisphosphate aldolase 0.0268 0.9266 1
Echinococcus multilocularis fructose 1,6 bisphosphate aldolase 0.0268 0.9266 1
Brugia malayi fructose-bisphosphate aldolase 2 0.0268 0.9266 1
Plasmodium vivax fructose 1,6-bisphosphate aldolase, putative 0.0268 0.9266 1

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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