Detailed information for compound 792588

Basic information

Technical information
  • TDR Targets ID: 792588
  • Name: 2-amino-4-(2-fluorophenyl)-5,6-dimethylpyridi ne-3-carbonitrile
  • MW: 241.264 | Formula: C14H12FN3
  • H donors: 1 H acceptors: 2 LogP: 3.27 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1c(N)nc(c(c1c1ccccc1F)C)C
  • InChi: 1S/C14H12FN3/c1-8-9(2)18-14(17)11(7-16)13(8)10-5-3-4-6-12(10)15/h3-6H,1-2H3,(H2,17,18)
  • InChiKey: PKQLPLARAXPESD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-amino-4-(2-fluorophenyl)-5,6-dimethyl-pyridine-3-carbonitrile
  • 2-amino-4-(2-fluorophenyl)-5,6-dimethyl-3-pyridinecarbonitrile
  • 2-amino-4-(2-fluorophenyl)-5,6-dimethyl-nicotinonitrile
  • A3847/0163403

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
Schistosoma mansoni malate dehydrogenase 0.0046 0.9126 1
Echinococcus multilocularis lactate dehydrogenase a 0.0046 0.9126 1
Brugia malayi Malate dehydrogenase, cytoplasmic 0.0018 0.0718 0.0718
Leishmania major malate dehydrogenase, putative 0.0046 0.9126 1
Trypanosoma cruzi mitochondrial malate dehydrogenase, putative 0.0018 0.0718 0.5
Echinococcus multilocularis lactate dehydrogenase a 0.0046 0.9126 1
Plasmodium falciparum malate dehydrogenase 0.0046 0.9126 1
Echinococcus multilocularis malate dehydrogenase 0.0018 0.0718 0.0787
Mycobacterium leprae PROBABLE MALATE DEHYDROGENASE MDH 0.0018 0.0718 0.5
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0018 0.0718 0.0787
Trichomonas vaginalis malate dehydrogenase, putative 0.0018 0.0718 0.5
Echinococcus multilocularis malate dehydrogenase 0.0018 0.0718 0.0787
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.5929 0.6496
Echinococcus multilocularis L lactate dehydrogenase 0.0028 0.3779 0.4141
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0018 0.0718 0.5
Plasmodium vivax lactate dehydrogenase 0.0046 0.9126 1
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0018 0.0718 0.5
Schistosoma mansoni malate dehydrogenase 0.0018 0.0718 0.0787
Brugia malayi lactate dehydrogenase. 0.0046 0.9126 0.9126
Loa Loa (eye worm) hypothetical protein 0.0033 0.5371 0.5371
Echinococcus granulosus cytosolic malate dehydrogenase 0.0018 0.0718 0.0787
Chlamydia trachomatis malate dehydrogenase 0.0018 0.0718 0.5
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0018 0.0718 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 1 1
Toxoplasma gondii lactate dehydrogenase LDH1 0.0046 0.9126 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.0018 0.0718 0.5
Loa Loa (eye worm) hypothetical protein 0.0046 0.9126 0.9126
Trypanosoma cruzi malate dehydrogenase, putative 0.0018 0.0718 0.5
Brugia malayi hypothetical protein 0.0035 0.5929 0.5929
Echinococcus multilocularis lactate dehydrogenase protein 0.0046 0.9126 1
Mycobacterium tuberculosis Probable malate dehydrogenase Mdh 0.0018 0.0718 0.5
Schistosoma mansoni L-lactate dehydrogenase 0.0046 0.9126 1
Schistosoma mansoni L-lactate dehydrogenase 0.0018 0.0718 0.0787
Giardia lamblia Malate dehydrogenase 0.0018 0.0718 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.0018 0.0718 0.5
Echinococcus granulosus malate dehydrogenase 0.0018 0.0718 0.0787
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0018 0.0718 0.5
Trypanosoma brucei cytosolic malate dehydrogenase 0.0018 0.0718 0.5
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0018 0.0718 0.5
Echinococcus granulosus L lactate dehydrogenase B chain 0.0046 0.9126 1
Toxoplasma gondii lactate dehydrogenase LDH2 0.0046 0.9126 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.0018 0.0718 0.5
Loa Loa (eye worm) malate dehydrogenase 0.0018 0.0718 0.0718
Trichomonas vaginalis malate dehydrogenase, putative 0.0018 0.0718 0.5
Toxoplasma gondii malate dehydrogenase MDH 0.0046 0.9126 0.5
Entamoeba histolytica hypothetical protein 0.0035 0.5929 0.6197
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0018 0.0718 0.5
Trypanosoma brucei malate dehydrogenase-related 0.0018 0.0718 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.0018 0.0718 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.5929 0.6496
Echinococcus granulosus lactate dehydrogenase a 0.0046 0.9126 1
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0018 0.0718 0.0787
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0018 0.0718 0.5
Mycobacterium ulcerans malate dehydrogenase 0.0018 0.0718 0.5
Plasmodium vivax malate dehydrogenase, putative 0.0046 0.9126 1
Echinococcus granulosus lactate dehydrogenase protein 0.0046 0.9126 1
Trypanosoma brucei mitochondrial malate dehydrogenase 0.0018 0.0718 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.0018 0.0718 0.5
Trypanosoma cruzi malate dehydrogenase, putative 0.0018 0.0718 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.5929 0.6496
Entamoeba histolytica hypothetical protein 0.0035 0.5929 0.6197
Echinococcus multilocularis lactate dehydrogenase a 0.0046 0.9126 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0018 0.0718 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.5371 0.5371
Echinococcus granulosus cytosolic malate dehydrogenase 0.0018 0.0718 0.0787
Echinococcus granulosus L lactate dehydrogenase 0.0028 0.3779 0.4141
Brugia malayi Probable malate dehydrogenase, mitochondrial precursor 0.0018 0.0718 0.0718
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0018 0.0718 0.5
Plasmodium falciparum L-lactate dehydrogenase 0.0046 0.9126 1
Entamoeba histolytica malate dehydrogenase, putative 0.0046 0.9126 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0018 0.0718 0.5
Schistosoma mansoni hypothetical protein 0.0035 0.5929 0.6496
Echinococcus multilocularis L lactate dehydrogenase B chain 0.0046 0.9126 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0018 0.0718 0.5
Entamoeba histolytica hypothetical protein 0.0035 0.5929 0.6197
Loa Loa (eye worm) hypothetical protein 0.0049 1 1
Echinococcus granulosus malate dehydrogenase 0.0018 0.0718 0.0787
Trypanosoma brucei glycosomal malate dehydrogenase 0.0018 0.0718 0.5
Echinococcus granulosus lactate dehydrogenase a 0.0046 0.9126 1
Wolbachia endosymbiont of Brugia malayi malate dehydrogenase 0.0046 0.9126 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.0018 0.0718 0.5
Schistosoma mansoni malate dehydrogenase 0.0018 0.0718 0.0787
Schistosoma mansoni hypothetical protein 0.0033 0.5371 0.5886
Schistosoma mansoni malate dehydrogenase 0.0018 0.0718 0.0787
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0018 0.0718 0.5
Loa Loa (eye worm) malate dehydrogenase 0.0018 0.0718 0.0718
Entamoeba histolytica hypothetical protein 0.0035 0.5929 0.6197

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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