Detailed information for compound 1489133

Basic information

Technical information
  • TDR Targets ID: 1489133
  • Name: 3-[1-[4-methyl-6-(trifluoromethyl)pyrimidin-2 -yl]triazol-4-yl]aniline
  • MW: 320.273 | Formula: C14H11F3N6
  • H donors: 1 H acceptors: 4 LogP: 2.26 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1nc(nc(c1)C(F)(F)F)n1nnc(c1)c1cccc(c1)N
  • InChi: 1S/C14H11F3N6/c1-8-5-12(14(15,16)17)20-13(19-8)23-7-11(21-22-23)9-3-2-4-10(18)6-9/h2-7H,18H2,1H3
  • InChiKey: MRIAGHLWRXIVTH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-4-triazolyl]aniline
  • [3-[1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]triazol-4-yl]phenyl]amine
  • 3-[1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,2,3-triazol-4-yl]aniline
  • SMR000336873
  • 12X-0852
  • ZINC04050449
  • 3-{1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazol-4-yl}aniline
  • MLS000763533

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis geminin 0.0173 0.6625 1
Echinococcus multilocularis lamin 0.0029 0.0447 0.0675
Onchocerca volvulus 0.0034 0.0656 0.064
Mycobacterium ulcerans hypothetical protein 0.0039 0.0872 0.5
Brugia malayi RNA binding protein 0.0134 0.4942 0.8606
Mycobacterium ulcerans esterase/lipase LipP 0.0039 0.0872 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.1775 0.3091
Loa Loa (eye worm) hypothetical protein 0.0029 0.0447 0.0779
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1775 0.3091
Onchocerca volvulus 0.0039 0.0872 0.1304
Leishmania major hypothetical protein, conserved 0.0039 0.0872 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0447 0.0779
Loa Loa (eye worm) hypothetical protein 0.0105 0.3707 0.6454
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.0872 0.1317
Echinococcus multilocularis apoptotic protease activating factor 1 0.0034 0.0656 0.099
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0447 0.0779
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0105 0.3707 0.6454
Schistosoma mansoni lamin 0.0029 0.0447 0.0675
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1775 0.3091
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0872 0.5
Echinococcus multilocularis musashi 0.0029 0.0447 0.0675
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0134 0.4942 0.8606
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0872 0.1317
Trichomonas vaginalis esterase, putative 0.0039 0.0872 0.5
Brugia malayi beta-lactamase family protein 0.0039 0.0872 0.1519
Loa Loa (eye worm) hypothetical protein 0.0034 0.0656 0.1142
Echinococcus multilocularis muscleblind protein 1 0.0152 0.5743 0.8669
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.0105 0.3707 0.5595
Loa Loa (eye worm) hypothetical protein 0.0039 0.0872 0.1519
Brugia malayi Muscleblind-like protein 0.0152 0.5743 1
Schistosoma mansoni hypothetical protein 0.0173 0.6625 1
Onchocerca volvulus 0.0039 0.0872 0.1304
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0105 0.3707 0.6454
Loa Loa (eye worm) hypothetical protein 0.0034 0.0656 0.1142
Echinococcus granulosus intermediate filament protein 0.0029 0.0447 0.0675
Echinococcus multilocularis caspase 2 0.0034 0.0656 0.099
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0872 0.5
Plasmodium vivax hypothetical protein, conserved 0.0039 0.0872 0.5
Onchocerca volvulus 0.0039 0.0872 0.1304
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.0872 0.1519
Echinococcus granulosus caspase 2 0.0034 0.0656 0.099
Loa Loa (eye worm) hypothetical protein 0.0029 0.0424 0.0738
Schistosoma mansoni lamin 0.0029 0.0447 0.0675
Schistosoma mansoni hypothetical protein 0.0041 0.0953 0.1439
Onchocerca volvulus Deterin homolog 0.0105 0.3707 1
Brugia malayi beta-lactamase 0.0039 0.0872 0.1519
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1775 0.3091
Loa Loa (eye worm) hypothetical protein 0.0039 0.0872 0.1519
Brugia malayi intermediate filament protein 0.0029 0.0447 0.0779
Mycobacterium leprae Probable lipase LipE 0.0039 0.0872 0.5
Echinococcus multilocularis lamin dm0 0.0029 0.0447 0.0675
Mycobacterium ulcerans lipase LipD 0.0039 0.0872 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.0872 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0872 0.5
Mycobacterium leprae conserved hypothetical protein 0.0039 0.0872 0.5
Loa Loa (eye worm) hypothetical protein 0.0152 0.5743 1
Echinococcus granulosus geminin 0.0173 0.6625 1
Brugia malayi RNA recognition motif domain containing protein 0.0134 0.4942 0.8606
Brugia malayi Cell death protein 3 precursor 0.0034 0.0656 0.1142
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0953 0.166
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0447 0.0779
Echinococcus granulosus tar DNA binding protein 0.0134 0.4942 0.746
Schistosoma mansoni tar DNA-binding protein 0.0134 0.4942 0.746
Loa Loa (eye worm) hypothetical protein 0.0039 0.0872 0.1519
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.0872 0.1317
Toxoplasma gondii ABC1 family protein 0.0039 0.0872 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0872 0.5
Brugia malayi hypothetical protein 0.0034 0.0656 0.1142
Loa Loa (eye worm) beta-lactamase 0.0039 0.0872 0.1519
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.0105 0.3707 0.5595
Echinococcus multilocularis muscleblind protein 0.0152 0.5743 0.8669
Brugia malayi TAR-binding protein 0.0134 0.4942 0.8606
Schistosoma mansoni inhibitor of apoptosis protein 0.0105 0.3707 0.5595
Schistosoma mansoni tar DNA-binding protein 0.0134 0.4942 0.746
Loa Loa (eye worm) hypothetical protein 0.0041 0.0953 0.166
Loa Loa (eye worm) hypothetical protein 0.0105 0.3707 0.6454
Schistosoma mansoni hypothetical protein 0.0105 0.3707 0.5595
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0872 0.5
Echinococcus granulosus baculoviral IAP repeat containing protein 0.0105 0.3707 0.5595
Schistosoma mansoni tar DNA-binding protein 0.0134 0.4942 0.746
Schistosoma mansoni hypothetical protein 0.0034 0.0656 0.099
Brugia malayi beta-lactamase family protein 0.0039 0.0872 0.1519
Echinococcus granulosus inhibitor of apoptosis protein 0.0105 0.3707 0.5595
Loa Loa (eye worm) hypothetical protein 0.0039 0.0872 0.1519
Echinococcus granulosus lamin dm0 0.0029 0.0447 0.0675
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0872 0.1317
Schistosoma mansoni caspase-7 (C14 family) 0.0034 0.0656 0.099
Echinococcus granulosus lamin 0.0029 0.0447 0.0675
Schistosoma mansoni tar DNA-binding protein 0.0134 0.4942 0.746
Schistosoma mansoni tar DNA-binding protein 0.0134 0.4942 0.746
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.0872 0.1519
Schistosoma mansoni hypothetical protein 0.0173 0.6625 1
Loa Loa (eye worm) hypothetical protein 0.0152 0.5743 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0039 0.0872 0.5
Onchocerca volvulus Cell death protein 3 homolog 0.0034 0.0656 0.064
Echinococcus granulosus apoptotic protease activating factor 1 0.0034 0.0656 0.099
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0872 0.5
Loa Loa (eye worm) hypothetical protein 0.0039 0.0872 0.1519
Loa Loa (eye worm) hypothetical protein 0.0039 0.0872 0.1519
Echinococcus multilocularis tar DNA binding protein 0.0134 0.4942 0.746
Mycobacterium ulcerans beta-lactamase 0.0039 0.0872 0.5
Onchocerca volvulus 0.0105 0.3707 1
Loa Loa (eye worm) TAR-binding protein 0.0134 0.4942 0.8606
Schistosoma mansoni intermediate filament proteins 0.0029 0.0447 0.0675
Echinococcus granulosus muscleblind protein 0.0152 0.5743 0.8669
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0872 0.5
Echinococcus multilocularis inhibitor of apoptosis protein 0.0105 0.3707 0.5595
Loa Loa (eye worm) RNA binding protein 0.0134 0.4942 0.8606

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.3115 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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