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