Detailed information for compound 212551

Basic information

Technical information
  • TDR Targets ID: 212551
  • Name: N,N-dimethyl-4-(trifluoromethyl)pyrimidin-2-a mine
  • MW: 191.154 | Formula: C7H8F3N3
  • H donors: 0 H acceptors: 2 LogP: 1.58 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(c1nccc(n1)C(F)(F)F)C
  • InChi: 1S/C7H8F3N3/c1-13(2)6-11-4-3-5(12-6)7(8,9)10/h3-4H,1-2H3
  • InChiKey: SMDIIJYWPOJVDM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N,N-dimethyl-4-(trifluoromethyl)-2-pyrimidinamine
  • dimethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amine

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
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0324 0.4356 1
Echinococcus granulosus eukaryotic initiation factor 4A 0.0104 0.0986 0.0986
Echinococcus granulosus glutamate receptor subunit protein glur 0.0041 0.0005 0.0005
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0324 0.4356 1
Loa Loa (eye worm) glutamate receptor 2 0.0055 0.0221 0.032
Schistosoma mansoni glutamate receptor kainate 0.0055 0.0221 0.0221
Chlamydia trachomatis glutamine binding protein 0.0083 0.0658 1
Schistosoma mansoni tar DNA-binding protein 0.007 0.0458 0.0458
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0324 0.4356 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.007 0.0458 0.0661
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0156 0.1784 1
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0104 0.0986 0.1589
Echinococcus multilocularis tar DNA binding protein 0.007 0.0458 0.0458
Leishmania major eukaryotic initiation factor 4a, putative 0.0104 0.0986 0.5528
Schistosoma mansoni tar DNA-binding protein 0.007 0.0458 0.0458
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0041 0.0005 0.0005
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0104 0.0986 0.0986
Schistosoma mansoni tar DNA-binding protein 0.007 0.0458 0.0458
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0158 0.181 0.2651
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative 0.0156 0.1784 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0158 0.181 0.2651
Echinococcus multilocularis glutamate receptor NMDA 0.0344 0.4675 0.4675
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0156 0.1784 0.2368
Brugia malayi Glutamate receptor 2 precursor 0.0055 0.0221 0.032
Echinococcus granulosus tar DNA binding protein 0.007 0.0458 0.0458
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0104 0.0986 0.5528
Loa Loa (eye worm) runx1 0.0062 0.0325 0.047
Brugia malayi eukaryotic initiation factor 4A 0.0104 0.0986 0.1425
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0324 0.4356 1
Schistosoma mansoni glutamate receptor NMDA 0.042 0.5838 0.5838
Echinococcus granulosus glutamate receptor 2 0.0076 0.0542 0.0542
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0324 0.4356 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0124 0.1283 0.1283
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0041 0.0005 0.0005
Echinococcus granulosus Ribosomal protein S1 RNA binding domain 0.0041 0.0005 0.0005
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0158 0.181 0.2916
Brugia malayi Glutamate receptor 1 precursor 0.0055 0.0221 0.032
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0104 0.0986 0.2264
Schistosoma mansoni glutamate receptor kainate 0.0055 0.0221 0.0221
Echinococcus multilocularis nmda type glutamate receptor 0.0365 0.4996 0.4996
Schistosoma mansoni microtubule-associated protein tau 0.069 1 1
Treponema pallidum fructose-bisphosphate aldolase 0.0324 0.4356 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0076 0.0542 0.0542
Echinococcus multilocularis microtubule associated protein 2 0.069 1 1
Brugia malayi RNA, U transporter 1 0.0091 0.0775 0.112
Onchocerca volvulus 0.049 0.6921 1
Brugia malayi hypothetical protein 0.049 0.6921 1
Schistosoma mansoni lozenge 0.0062 0.0325 0.0325
Schistosoma mansoni hypothetical protein 0.0341 0.4621 0.4621
Schistosoma mansoni glutamate receptor AMPA 0.0055 0.0221 0.0221
Schistosoma mansoni hypothetical protein 0.0041 0.0005 0.0005
Schistosoma mansoni hypothetical protein 0.017 0.1987 0.1987
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0324 0.4356 1
Brugia malayi RNA recognition motif domain containing protein 0.007 0.0458 0.0661
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0156 0.1784 1
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0041 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0104 0.0986 0.1425
Brugia malayi 3-oxo-5-alpha-steroid 4-dehydrogenase 1 0.0156 0.1784 0.2578
Brugia malayi RNA binding protein 0.007 0.0458 0.0661
Echinococcus multilocularis snurportin 1 0.0341 0.4621 0.4621
Schistosoma mansoni glutamate receptor AMPA 0.0055 0.0221 0.0221
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0076 0.0542 0.0542
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0076 0.0542 0.0542
Treponema pallidum ATP-dependent RNA helicase 0.0104 0.0986 0.0888
Echinococcus multilocularis glutamate receptor 2 0.0055 0.0221 0.0221
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0076 0.0542 0.0542
Echinococcus granulosus geminin 0.017 0.1987 0.1987
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0324 0.4356 1
Schistosoma mansoni glutamate receptor kainate 0.0055 0.0221 0.0221
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0156 0.1784 1
Echinococcus granulosus snurportin 1 0.0341 0.4621 0.4621
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0076 0.0542 0.0542
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0076 0.0542 0.0542
Echinococcus granulosus nmda type glutamate receptor 0.0468 0.658 0.658
Schistosoma mansoni lipoxygenase 0.0057 0.0255 0.0255
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0104 0.0986 0.5528
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0041 0.0005 0.0005
Leishmania major eukaryotic initiation factor 4a, putative 0.0104 0.0986 0.5528
Echinococcus granulosus glutamate NMDA receptor subunit 0.0055 0.0221 0.0221
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0083 0.0658 0.1059
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao 0.0444 0.6207 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0057 0.0255 0.0255
Loa Loa (eye worm) glutamate receptor 1 0.0055 0.0221 0.032
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0156 0.1784 0.2368
Entamoeba histolytica steroid 5-alpha reductase, putative 0.0156 0.1784 0.4096
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0055 0.0221 0.0221
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0324 0.4356 1
Echinococcus multilocularis Ribosomal protein S1, RNA binding domain 0.0041 0.0005 0.0005
Echinococcus multilocularis nmda type glutamate receptor 0.0468 0.658 0.658
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0076 0.0542 0.0542
Echinococcus multilocularis NMDA receptor 0.0041 0.0005 0.0005
Plasmodium falciparum eukaryotic initiation factor 4A 0.0104 0.0986 1
Echinococcus granulosus nmda type glutamate receptor 0.0365 0.4996 0.4996
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0324 0.4356 1
Schistosoma mansoni d-amino acid oxidase 0.0484 0.6828 0.6828
Schistosoma mansoni hypothetical protein 0.017 0.1987 0.1987
Echinococcus multilocularis geminin 0.017 0.1987 0.1987
Brugia malayi TAR-binding protein 0.007 0.0458 0.0661
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0104 0.0986 0.5528
Schistosoma mansoni tar DNA-binding protein 0.007 0.0458 0.0458
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0104 0.0986 0.0986
Mycobacterium ulcerans hypothetical protein 0.0156 0.1784 0.2613
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0076 0.0542 0.0542
Echinococcus multilocularis glutamate receptor 2 0.0076 0.0542 0.0542
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0324 0.4356 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0341 0.4621 0.6676
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0104 0.0986 0.0986
Schistosoma mansoni ATP-binding cassette transporter 0.0055 0.0221 0.0221
Loa Loa (eye worm) hypothetical protein 0.0484 0.6828 0.9865
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0104 0.0986 0.2264
Mycobacterium ulcerans D-amino acid oxidase Aao 0.0484 0.6828 1
Loa Loa (eye worm) TAR-binding protein 0.007 0.0458 0.0661
Loa Loa (eye worm) hypothetical protein 0.049 0.6921 1
Schistosoma mansoni tar DNA-binding protein 0.007 0.0458 0.0458
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 0.0484 0.6828 1
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0104 0.0986 0.0986
Leishmania major 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein 0.0156 0.1784 1
Echinococcus granulosus glutamate receptor NMDA 0.0344 0.4675 0.4675
Plasmodium vivax RNA helicase-1, putative 0.0104 0.0986 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0057 0.0255 0.0255
Schistosoma mansoni glutamate receptor NMDA 0.0055 0.0221 0.0221
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0104 0.0986 0.0986
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0156 0.1784 0.2368
Loa Loa (eye worm) hypothetical protein 0.0156 0.1784 0.2578
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0104 0.0986 0.5528
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0083 0.0658 0.0963
Loa Loa (eye worm) RNA binding protein 0.007 0.0458 0.0661
Giardia lamblia Fructose-bisphosphate aldolase 0.0324 0.4356 1
Echinococcus multilocularis Protein lozenge 0.0062 0.0325 0.0325
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0083 0.0658 1
Loa Loa (eye worm) hypothetical protein 0.049 0.6921 1
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0104 0.0986 0.1425

Activities

Activity type Activity value Assay description Source Reference
Variation (functional) = -100 % Effect on the contractile force of spontaneously beating atria from Reserpine-treated guinea pigs as percentage variation from the control at concentration of 10E-3 M ChEMBL. 8809156
Variation (functional) = -100 % Effect on the frequency rate of spontaneously beating atria from Reserpine-treated guinea pigs as percentage variation from the control at concentration of 10E-3 M ChEMBL. 8809156
Variation (functional) = -83.03 % Effect on the contractile force of spontaneously beating atria from Reserpine-treated guinea pigs as percentage variation from the control at concentration of 3 x 10E-4 M ChEMBL. 8809156
Variation (functional) = -67.95 % Effect on the contractile force of spontaneously beating atria from Reserpine treated guinea pigs as percentage variation from the control at concentration of 10E-4 M ChEMBL. 8809156
Variation (functional) = -32.26 % Compound was evaluated for its effect on the frequency rate of spontaneously beating atria from Reserpine-treated guinea pigs as percentage variation from the control at concentration of 3 x 10E-4 M ChEMBL. 8809156
Variation (functional) = -30.94 % Effect on the contractile force of spontaneously beating atria from Reserpine-treated guinea pigs as percentage variation from the control at concentration of 3 x 10E-5 M ChEMBL. 8809156
Variation (functional) = -22.58 % Effect on the frequency rate of spontaneously beating atria from Reserpine-treated guinea pigs as percentage variation from the control at concentration of 10E-4 M ChEMBL. 8809156
Variation (functional) = -12.62 % Effect on the contractile force of spontaneously beating atria from Reserpine-treated guinea pigs as percentage variation from the control at concentration of 10E-5 M ChEMBL. 8809156
Variation (functional) = -3.68 % Compound was evaluated for its effect on the frequency rate of spontaneously beating atria from Reserpine-treated guinea pigs as percentage variation from the control at concentration of 3 x 10E-5 M ChEMBL. 8809156
Variation (functional) = -3.23 % Effect on the frequency rate of spontaneously beating atria from Reserpine-treated guinea pigs as percentage variation from the control at concentration of 10E-5 M ChEMBL. 8809156
Variation (functional) = 0 % Effect on the contractile force of spontaneously beating atria from Reserpine-treated guinea pigs as percentage variation from the control at concentration of 10E-6 M ChEMBL. 8809156
Variation (functional) = 0 % Effect on the frequency rate of spontaneously beating atria from Reserpine-treated guinea pigs as percentage variation from the control at concentration of 10E-6 M ChEMBL. 8809156
Variation (functional) = 0 % Compound was evaluated for its effect on the frequency rate of spontaneously beating atria from Reserpine-treated guinea pigs as percentage variation from the control at concentration of 3 x 10E-6 M ChEMBL. 8809156
Variation (functional) = 2.47 % Effect on the contractile force of spontaneously beating atria from Reserpine-treated guinea pigs as percentage variation from the control at concentration of 3 x 10E-6 M ChEMBL. 8809156

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

1 literature reference was collected for this gene.

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