Detailed information for compound 1430763

Basic information

Technical information
  • TDR Targets ID: 1430763
  • Name: MLS000851484
  • MW: 442.315 | Formula: C19H12F6N4O2
  • H donors: 1 H acceptors: 2 LogP: 4.8 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cnn(c1C(F)(F)F)c1ccccc1)ONC(=N)c1ccc(cc1)C(F)(F)F
  • InChi: 1S/C19H12F6N4O2/c20-18(21,22)12-8-6-11(7-9-12)16(26)28-31-17(30)14-10-27-29(15(14)19(23,24)25)13-4-2-1-3-5-13/h1-10H,(H2,26,28)
  • InChiKey: VIKGKQJHOOOBOY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • O1-{[1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl}-4-(trifluoromethyl)benzene-1-carbohydroximamide
  • SMR000457927

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
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) hypothetical protein 0.0117 0.0719 0.0719
Echinococcus multilocularis glycerol 3 phosphate dehydrogenase 0.0117 0.0719 0.1059
Onchocerca volvulus Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial homolog 0.0117 0.0719 1
Schistosoma mansoni ATP:guanidino kinase (Smc74) 0.0117 0.0719 0.0617
Toxoplasma gondii FAD-dependent glycerol-3-phosphate dehydrogenase 0.0117 0.0719 0.5
Trypanosoma brucei electron transfer flavoprotein-ubiquinone oxidoreductase, putative 0.0117 0.0719 0.5
Brugia malayi intermediate filament protein 0.0033 0.0109 0.1513
Plasmodium vivax FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0117 0.0719 0.5
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0117 0.0719 0.5
Loa Loa (eye worm) glycerol-3-phosphate dehydrogenase 0.0117 0.0719 0.0719
Chlamydia trachomatis D-amino acid dehydrogenase 0.0117 0.0719 0.5
Leishmania major glycerol-3-phosphate dehydrogenase-like protein 0.0117 0.0719 0.5
Trypanosoma brucei L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0117 0.0719 0.5
Schistosoma mansoni fad oxidoreductase 0.0117 0.0719 0.0617
Schistosoma mansoni d-amino acid oxidase 0.1408 1 1
Onchocerca volvulus Dimethylglycine dehydrogenase, mitochondrial homolog 0.0117 0.0719 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0104 0.0104
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0109 0.0109
Echinococcus multilocularis FAD dependent oxidoreductase domain containing protein 0.0117 0.0719 0.1059
Trypanosoma brucei FAD dependent oxidoreductase, putative 0.0117 0.0719 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0109 0.1513
Echinococcus granulosus glycerol 3 phosphate dehydrogenase 0.0117 0.0719 0.1059
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0117 0.0719 0.5
Loa Loa (eye worm) hypothetical protein 0.0117 0.0719 0.0719
Schistosoma mansoni glycerol-3-phosphate dehydrogenase 0.0117 0.0719 0.0617
Toxoplasma gondii hypothetical protein 0.0117 0.0719 0.5
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 20 0.0117 0.0719 0.5
Brugia malayi dimethylglycine dehydrogenase, mitochondrial precursor, putative 0.0117 0.0719 1
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0117 0.0719 0.5
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0109 0.0109
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.5866 1
Entamoeba histolytica anaerobic glycerol-3-phosphate dehydrogenase subunit A, putative 0.0117 0.0719 0.5
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0117 0.0719 0.5
Echinococcus granulosus microtubule associated protein 2 0.0833 0.5866 1
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0117 0.0719 0.5
Brugia malayi cDNA sequence BC016226 0.0117 0.0719 1
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), mitochondrial 0.0117 0.0719 0.5
Plasmodium falciparum FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0117 0.0719 0.5
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.5866 0.5821
Brugia malayi RE18450p 0.0117 0.0719 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0109 0.0109
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0117 0.0719 0.5
Schistosoma mansoni NAD dehydrogenase 0.0117 0.0719 0.0617
Leishmania major hypothetical protein, conserved 0.0117 0.0719 0.5
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0117 0.0719 0.5
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 0.1408 1 1
Echinococcus granulosus FAD dependent oxidoreductase domain containing protein 0.0117 0.0719 0.1059
Leishmania major hypothetical protein, conserved 0.0117 0.0719 0.5
Onchocerca volvulus Putative fad oxidoreductase 0.0117 0.0719 1
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao 0.1291 0.9156 1
Loa Loa (eye worm) hypothetical protein 0.0117 0.0719 0.0719
Trypanosoma cruzi FAD dependent oxidoreductase, putative 0.0117 0.0719 0.5
Schistosoma mansoni fad oxidoreductase 0.0117 0.0719 0.0617
Brugia malayi pyruvate dehydrogenase phosphatase regulatory subunit precursor 0.0117 0.0719 1
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase, putative 0.0117 0.0719 0.5
Mycobacterium ulcerans D-amino acid oxidase Aao 0.1408 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.0418 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (binding) = 7.9433 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 13.1154 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) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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