Detailed information for compound 902317

Basic information

Technical information
  • TDR Targets ID: 902317
  • Name: 6-phenyl-2-(prop-2-enylamino)-4-(trifluoromet hyl)pyridine-3-carbonitrile
  • MW: 303.282 | Formula: C16H12F3N3
  • H donors: 1 H acceptors: 2 LogP: 4.63 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCNc1nc(cc(c1C#N)C(F)(F)F)c1ccccc1
  • InChi: 1S/C16H12F3N3/c1-2-8-21-15-12(10-20)13(16(17,18)19)9-14(22-15)11-6-4-3-5-7-11/h2-7,9H,1,8H2,(H,21,22)
  • InChiKey: XAGUECZWDLGNDG-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(allylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
  • 2-(allylamino)-6-phenyl-4-(trifluoromethyl)-3-pyridinecarbonitrile
  • 2-(allylamino)-6-phenyl-4-(trifluoromethyl)nicotinonitrile
  • EU-0038559

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) glyceraldehyde 3-phosphate dehydrogenase 0.0175 0.4493 0.4562
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0065 0.0574 0.0294
Echinococcus granulosus equilibrative nucleoside transporter 0.0326 0.9849 0.984
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0267 0.776 1
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.0326 0.9849 1
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0065 0.0574 0.0376
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0267 0.776 0.7814
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0267 0.776 0.7814
Onchocerca volvulus Equilibrative nucleoside transporter, putative homolog 0.0326 0.9849 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0267 0.776 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0267 0.776 0.7814
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0175 0.4493 0.4157
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0185 0.4825 0.4899
Entamoeba histolytica nucleoside transporter, putative 0.0326 0.9849 1
Onchocerca volvulus 0.015 0.3606 0.3661
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0083 0.122 0.1242
Mycobacterium ulcerans glyceraldehyde 3-phosphate dehydrogenase Gap 0.0267 0.776 0.5
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0267 0.776 0.7814
Trypanosoma brucei adenosine kinase, putative 0.0169 0.429 0.5353
Loa Loa (eye worm) hypothetical protein 0.0057 0.0293 0.0298
Brugia malayi glyceraldehyde 3-phosphate dehydrogenase 0.0083 0.122 0.097
Wolbachia endosymbiont of Brugia malayi glyceraldehyde-3-phosphate dehydrogenase, GapA 0.0267 0.776 0.5
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0092 0.1552 0.1318
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.0326 0.9849 1
Echinococcus granulosus equilibrative nucleoside transporter 3 0.0326 0.9849 0.984
Echinococcus multilocularis equilibrative nucleoside transporter protein 0.0326 0.9849 0.984
Giardia lamblia Hypothetical protein 0.0326 0.9849 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0267 0.776 1
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.0574 0.0376
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH2 0.0267 0.776 1
Schistosoma mansoni equilibrative nucleoside transporter 0.0057 0.0293 0.0378
Mycobacterium tuberculosis Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.0092 0.1558 0.5
Onchocerca volvulus Equilibrative nucleoside transporter, putative homolog 0.0326 0.9849 1
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0267 0.776 1
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0175 0.4493 0.4157
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.0092 0.1552 0.1318
Brugia malayi Adenosine kinase-like 0.0169 0.429 0.4182
Loa Loa (eye worm) hypothetical protein 0.0175 0.4493 0.4562
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0175 0.4493 0.4395
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0267 0.776 0.7814
Echinococcus multilocularis equilibrative nucleoside transporter 3 0.027 0.7841 0.7709
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0267 0.776 1
Chlamydia trachomatis glyceraldehyde-3-phosphate dehydrogenase 0.0267 0.776 0.5
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0185 0.4825 0.4899
Trypanosoma brucei glyceraldehyde-3-phosphate dehydrogenase, putative 0.0175 0.4487 0.5617
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0083 0.122 0.1242
Leishmania major glyceraldehyde-3-phosphate dehydrogenase-like protein 0.0175 0.4487 0.5617
Loa Loa (eye worm) hypothetical protein 0.0326 0.9849 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0267 0.776 1
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH1 0.0267 0.776 1
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0065 0.0574 0.074
Loa Loa (eye worm) hypothetical protein 0.0169 0.429 0.4356
Plasmodium falciparum glyceraldehyde-3-phosphate dehydrogenase 0.0267 0.776 0.5
Echinococcus multilocularis tumor protein p63 0.0331 1 1
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0267 0.776 0.7623
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.0267 0.776 0.7814
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, C-terminal domain, putative 0.0083 0.122 0.1242
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0267 0.776 0.7814
Brugia malayi Nucleoside transporter family protein 0.0326 0.9849 1
Echinococcus granulosus adenosine kinase 0.0169 0.429 0.3942
Schistosoma mansoni protein kinase 0.0057 0.0293 0.0378
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0267 0.776 1
Mycobacterium leprae Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.0092 0.1558 0.5
Brugia malayi hypothetical protein 0.0326 0.9849 1
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0267 0.776 1
Leishmania major adenosine kinase, putative 0.0169 0.429 0.5353
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0267 0.776 0.7623
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.0574 0.0376
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.0326 0.9849 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.0574 0.0376
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0267 0.776 1
Treponema pallidum glyceraldehyde 3-phosphate dehydrogenase (gap) 0.0267 0.776 0.5
Loa Loa (eye worm) hypothetical protein 0.0326 0.9849 1
Trypanosoma cruzi adenosine kinase, putative 0.0169 0.429 0.5353
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.0267 0.776 0.6103
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0267 0.776 1
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0267 0.776 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, C-terminal domain, putative 0.0083 0.122 0.1242
Plasmodium vivax glyceraldehyde-3-phosphate dehydrogenase, putative 0.0267 0.776 0.5
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.0175 0.4493 0.4562
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0267 0.776 0.7623
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0267 0.776 1
Toxoplasma gondii kinase, pfkB family protein 0.0169 0.429 0.5353
Schistosoma mansoni adenosine kinase 0.0169 0.429 0.5528
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0267 0.776 1
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.0326 0.9849 1
Echinococcus multilocularis equilibrative nucleoside transporter 3 0.0326 0.9849 0.984
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.0175 0.4487 0.5617
Loa Loa (eye worm) hypothetical protein 0.0326 0.9849 1
Echinococcus multilocularis adenosine kinase 0.0169 0.429 0.3942
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0065 0.0574 0.0583
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0267 0.776 1
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, cytosolic 0.0267 0.776 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0175 0.4493 0.4395
Trypanosoma cruzi adenosine kinase, putative 0.0169 0.429 0.5353
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.0175 0.4487 0.5617
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0267 0.776 0.7814
Schistosoma mansoni adenosine kinase 0.0169 0.429 0.5528
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0267 0.776 0.7814
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0267 0.776 1
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0065 0.0574 0.0294
Trypanosoma brucei adenosine kinase, putative 0.0169 0.429 0.5353
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0083 0.122 0.1242
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0267 0.776 0.7623

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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