Detailed information for compound 1383649

Basic information

Technical information
  • TDR Targets ID: 1383649
  • Name: 1-phenyl-5-(trifluoromethyl)pyrazole-4-carbox ylic acid
  • MW: 256.181 | Formula: C11H7F3N2O2
  • H donors: 1 H acceptors: 3 LogP: 2.34 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1cnn(c1C(F)(F)F)c1ccccc1
  • InChi: 1S/C11H7F3N2O2/c12-11(13,14)9-8(10(17)18)6-15-16(9)7-4-2-1-3-5-7/h1-6H,(H,17,18)
  • InChiKey: SMPJBTIFNUUWGQ-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-phenyl-5-(trifluoromethyl)-4-pyrazolecarboxylic acid
  • 1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
  • MLS000736334
  • Maybridge1_003788
  • SMR000338284
  • SBB000949
  • 639761_ALDRICH

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens survival of motor neuron 2, centromeric 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
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504

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
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0262 0.2844 0.2844
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0262 0.2844 0.9053
Entamoeba histolytica aldose reductase, putative 0.0262 0.2844 0.5
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0262 0.2844 0.2844
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0262 0.2844 0.2844
Loa Loa (eye worm) oxidoreductase 0.0262 0.2844 0.9053
Echinococcus granulosus hypothetical protein 0.0262 0.2844 0.2844
Trichomonas vaginalis aldo-keto reductase, putative 0.0262 0.2844 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0262 0.2844 0.5
Onchocerca volvulus 0.0262 0.2844 1
Toxoplasma gondii aldo-keto reductase 0.0262 0.2844 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0262 0.2844 0.5
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0262 0.2844 1
Echinococcus multilocularis aldo keto reductase 0.0262 0.2844 0.2844
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0262 0.2844 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0262 0.2844 0.5
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0262 0.2844 0.2844
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0262 0.2844 0.2844
Leishmania major prostaglandin f synthase, putative 0.0262 0.2844 1
Trypanosoma brucei aldo/keto reductase, putative 0.0262 0.2844 1
Brugia malayi NADH-dependent xylose reductase 0.0262 0.2844 0.9053
Giardia lamblia Aldose reductase 0.0262 0.2844 0.5
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.3142 0.3142
Echinococcus multilocularis voltage gated potassium channel subunit 0.0262 0.2844 0.2844
Mycobacterium tuberculosis Conserved protein 0.0262 0.2844 0.5
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0262 0.2844 0.5
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0262 0.2844 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0262 0.2844 0.2844
Plasmodium falciparum aldo-keto reductase, putative 0.0262 0.2844 1
Entamoeba histolytica alcohol dehydrogenase, putative 0.0262 0.2844 0.5
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0262 0.2844 0.2844
Mycobacterium leprae Possible oxidoreductase 0.0262 0.2844 0.5
Echinococcus granulosus aldo keto reductase 0.0262 0.2844 0.2844
Mycobacterium tuberculosis Probable oxidoreductase 0.0262 0.2844 0.5
Toxoplasma gondii aldose reductase, putative 0.0262 0.2844 1
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0262 0.2844 0.9053
Loa Loa (eye worm) oxidoreductase 0.0262 0.2844 0.9053
Echinococcus multilocularis aldo keto reductase 0.0262 0.2844 0.2844
Entamoeba histolytica aldose reductase, putative 0.0262 0.2844 0.5
Trypanosoma cruzi aldo-keto reductase 0.0262 0.2844 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0262 0.2844 0.5
Echinococcus multilocularis aldo keto reductase 0.0262 0.2844 0.2844
Echinococcus granulosus aldo keto reductase 0.0262 0.2844 0.2844
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0262 0.2844 0.5
Trypanosoma cruzi aldo/keto reductase, putative 0.0262 0.2844 1
Loa Loa (eye worm) oxidoreductase 0.0262 0.2844 0.9053
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0262 0.2844 0.2844
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0262 0.2844 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0262 0.2844 0.5
Plasmodium vivax aldehyde reductase, putative 0.0262 0.2844 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0262 0.2844 0.2844
Trichomonas vaginalis aldo-keto reductase, putative 0.0262 0.2844 0.5
Onchocerca volvulus 0.0262 0.2844 1
Schistosoma mansoni aldo-keto reductase 0.0262 0.2844 0.2626
Mycobacterium ulcerans oxidoreductase 0.0262 0.2844 0.5
Loa Loa (eye worm) oxidoreductase 0.0262 0.2844 0.9053
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0262 0.2844 0.2844
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0296 0.0942
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0262 0.2844 0.2844
Onchocerca volvulus 0.0262 0.2844 1
Giardia lamblia Aldose reductase 0.0262 0.2844 0.5
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0262 0.2844 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0262 0.2844 0.5
Trichomonas vaginalis aldo/keto reductase, putative 0.0262 0.2844 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0262 0.2844 0.5
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0262 0.2844 0.5
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0818 0.9809 0.9809
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0262 0.2844 0.9053
Mycobacterium ulcerans hypothetical protein 0.0262 0.2844 0.5
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0262 0.2844 0.9053
Entamoeba histolytica aldose reductase, putative 0.0262 0.2844 0.5
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0262 0.2844 0.9053
Trichomonas vaginalis aldo-keto reductase, putative 0.0262 0.2844 0.5
Onchocerca volvulus 0.0262 0.2844 1
Trypanosoma brucei prostaglandin f synthase 0.0262 0.2844 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0262 0.2844 0.5
Loa Loa (eye worm) hypothetical protein 0.0286 0.3142 1
Echinococcus granulosus aldo keto reductase 0.0262 0.2844 0.2844
Trichomonas vaginalis aldo-keto reductase, putative 0.0262 0.2844 0.5
Leishmania major aldo-keto reductase-like protein 0.0262 0.2844 1
Loa Loa (eye worm) oxidoreductase 0.0262 0.2844 0.9053
Schistosoma mansoni pol-related 0.0262 0.2844 0.2626
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0262 0.2844 0.5
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0262 0.2844 0.2844
Trypanosoma cruzi aldo/keto reductase, putative 0.0262 0.2844 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0262 0.2844 0.2844
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0262 0.2844 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0262 0.2844 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0262 0.2844 0.5
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0262 0.2844 0.5
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0262 0.2844 0.2844
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.3142 0.3142
Echinococcus granulosus voltage gated potassium channel subunit 0.0262 0.2844 0.2844
Schistosoma mansoni aldo-keto reductase 0.0262 0.2844 0.2626
Trichomonas vaginalis aldo-keto reductase, putative 0.0262 0.2844 0.5
Onchocerca volvulus 0.0262 0.2844 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0262 0.2844 0.5
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0262 0.2844 0.2844
Echinococcus multilocularis aldo keto reductase 0.0262 0.2844 0.2844
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0262 0.2844 0.2844
Schistosoma mansoni potassium channel beta 0.0262 0.2844 0.2626
Trypanosoma brucei aldo-keto reductase, putative 0.0262 0.2844 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0262 0.2844 0.2844
Onchocerca volvulus 0.0262 0.2844 1
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0262 0.2844 0.2844
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0262 0.2844 0.2844
Plasmodium falciparum aldehyde reductase, putative 0.0262 0.2844 1
Entamoeba histolytica alcohol dehydrogenase, putative 0.0262 0.2844 0.5
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0262 0.2844 0.2844
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0262 0.2844 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0262 0.2844 0.5
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0262 0.2844 0.9053
Loa Loa (eye worm) hypothetical protein 0.0262 0.2844 0.9053
Onchocerca volvulus 0.0262 0.2844 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0262 0.2844 0.2844
Brugia malayi hypothetical protein 0.0286 0.3142 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0035 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) 18.526 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) = 19.9526 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) 26.8545 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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
Potency (functional) 141.2538 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939] 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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