Detailed information for compound 1427034

Basic information

Technical information
  • TDR Targets ID: 1427034
  • Name: 5-[2-(trifluoromethyl)phenyl]thiophene-2-carb oxylic acid
  • MW: 272.243 | Formula: C12H7F3O2S
  • H donors: 1 H acceptors: 2 LogP: 4.01 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1ccc(s1)c1ccccc1C(F)(F)F
  • InChi: 1S/C12H7F3O2S/c13-12(14,15)8-4-2-1-3-7(8)9-5-6-10(18-9)11(16)17/h1-6H,(H,16,17)
  • InChiKey: NUHWRBSTTMUDNR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-[2-(trifluoromethyl)phenyl]-2-thiophenecarboxylic acid
  • 5-[2-(trifluoromethyl)phenyl]-2-thenoic acid
  • KUC100896N
  • NCGC00159960-01

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
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0262 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2414 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.009 0.0374
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0666 0.2649
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0092 0.2414 0.2802
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0317 0.0256
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0092 0.2414 1
Echinococcus multilocularis dna polymerase eta 0.0019 0.0262 0.0227
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0262 0.0951
Loa Loa (eye worm) hypothetical protein 0.003 0.0586 0.0648
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0379 0.1442
Toxoplasma gondii peptidylprolyl isomerase 0.0032 0.0643 1
Onchocerca volvulus 0.0051 0.1215 0.2948
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0913 0.3686
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0262 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0262 0.1085
Loa Loa (eye worm) hypothetical protein 0.0051 0.1215 0.139
Schistosoma mansoni ran 0.0021 0.0317 0.0331
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0379 0.1442
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0032 0.0643 0.2554
Brugia malayi RNA recognition motif domain containing protein 0.0129 0.3496 0.8647
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0033 0.0666 0.0742
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0032 0.0643 0.2664
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2414 1
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0317 0.0282
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0262 0.0227
Brugia malayi RNA binding protein 0.0129 0.3496 0.8647
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0262 0.1085
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0317 0.1313
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.1048 0.4257
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0262 0.1085
Schistosoma mansoni kinase 0.0047 0.1084 0.1235
Loa Loa (eye worm) hypothetical protein 0.0019 0.0262 0.0266
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0535 0.2216
Schistosoma mansoni importin beta-1 0.0028 0.0535 0.0588
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2414 1
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0262 0.0227
Schistosoma mansoni DNA polymerase eta 0.0019 0.0262 0.0266
Brugia malayi Heterochromatin protein 1 0.0068 0.1704 0.4171
Leishmania major DNA polymerase eta, putative 0.0019 0.0262 0.1085
Trichomonas vaginalis rotamase, putative 0.0033 0.0666 0.2649
Schistosoma mansoni tar DNA-binding protein 0.0129 0.3496 0.4076
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0262 0.1085
Onchocerca volvulus 0.0148 0.4037 1
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2414 1
Plasmodium vivax importin-beta 2, putative 0.0028 0.0535 1
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0032 0.0643 0.2664
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0262 0.1085
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0262 0.1085
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0262 0.0951
Schistosoma mansoni serine/threonine protein kinase 0.0092 0.2414 0.2802
Echinococcus granulosus importin subunit beta 1 0.0028 0.0535 0.0501
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0262 0.1085
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0032 0.0643 0.2664
Schistosoma mansoni chromobox protein 0.0068 0.1704 0.1966
Echinococcus granulosus dna polymerase eta 0.0019 0.0262 0.0227
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0317 0.5633
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0317 0.5633
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0262 0.1085
Wolbachia endosymbiont of Brugia malayi parvulin-like peptidyl-prolyl isomerase, PPID 0.001 0 0.5
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 0.2414 1
Schistosoma mansoni tar DNA-binding protein 0.0129 0.3496 0.4076
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0301 0.8525 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0092 0.2414 0.2387
Schistosoma mansoni rotamase 0.0033 0.0666 0.0742
Trypanosoma brucei polo-like protein kinase 0.0092 0.2414 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0262 0.1085
Leishmania major DNA polymerase kappa, putative 0.0019 0.0262 0.1085
Trichomonas vaginalis ran, putative 0.0021 0.0317 0.1182
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0317 0.0331
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0535 0.8317
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0501 0.1956
Entamoeba histolytica Ran family GTPase 0.0021 0.0317 0.1182
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0535 0.2216
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0317 0.0282
Echinococcus granulosus tar DNA binding protein 0.0129 0.3496 0.3472
Toxoplasma gondii 'chromo' (CHRromatin Organization MOdifier) domain-containing protein 0.0011 0.0036 0.0555
Onchocerca volvulus Serine\/threonine kinase homolog 0.0092 0.2414 0.5945
Loa Loa (eye worm) heterochromatin protein 1 0.0068 0.1704 0.1966
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.0828 0.1979
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0379 0.1569
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0262 0.1085
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.3128 0.3643
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0262 0.1085
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2414 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0262 0.1085
Loa Loa (eye worm) hypothetical protein 0.0148 0.4037 0.4713
Trichomonas vaginalis chromobox protein, putative 0.0068 0.1704 0.7015
Leishmania major importin beta-1 subunit, putative 0.0023 0.0379 0.1569
Echinococcus multilocularis tumor protein p63 0.0352 1 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0262 0.0227
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0262 0.1085
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.009 0.0374
Trichomonas vaginalis rotamase, putative 0.0032 0.0643 0.2554
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0828 0.3329
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0262 0.0951
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0262 0.1085
Echinococcus multilocularis chromobox protein 1 0.0068 0.1704 0.1675
Onchocerca volvulus 0.003 0.0586 0.1375
Leishmania major GTP-binding protein, putative 0.0021 0.0317 0.1313
Echinococcus multilocularis expressed protein 0.0033 0.0666 0.0632
Loa Loa (eye worm) RNA binding protein 0.0129 0.3496 0.4076
Brugia malayi Importin beta-1 subunit 0.0028 0.0535 0.1248
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0262 0.1085
Plasmodium falciparum importin beta, putative 0.0028 0.0535 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0262 0.1085
Brugia malayi MH2 domain containing protein 0.0117 0.3128 0.7729
Schistosoma mansoni tar DNA-binding protein 0.0129 0.3496 0.4076
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0262 0.0565
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0262 0.0266
Brugia malayi chromobox protein homolog 3 0.0038 0.0828 0.1979
Echinococcus granulosus expressed protein 0.0033 0.0666 0.0632
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0262 0.0565
Brugia malayi hypothetical protein 0.0148 0.4037 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0262 0.0266
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0262 0.1085
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0913 0.3686
Trichomonas vaginalis chromobox protein, putative 0.0068 0.1704 0.7015
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0262 0.5
Loa Loa (eye worm) TAR-binding protein 0.0129 0.3496 0.4076
Echinococcus multilocularis tar DNA binding protein 0.0129 0.3496 0.3472
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0092 0.2414 0.2387
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.009 0.0374
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.3128 0.3643
Echinococcus granulosus snurportin 1 0.0301 0.8525 0.852
Schistosoma mansoni ran 0.0021 0.0317 0.0331
Toxoplasma gondii chromodomain helicase DNA binding protein CHD1/SWI2/SNF2 0.0011 0.0036 0.0555
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0317 0.4927
Entamoeba histolytica hypothetical protein 0.0023 0.0379 0.1442
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2414 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0535 0.0588
Echinococcus granulosus chromobox protein 1 0.0068 0.1704 0.1675
Brugia malayi TAR-binding protein 0.0129 0.3496 0.8647
Schistosoma mansoni chromobox protein 0.0068 0.1704 0.1966
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0913 0.2192
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 0.2414 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0828 0.0933
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0501 0.1956
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0828 0.3329
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0262 0.0266
Trypanosoma brucei unspecified product 0.0019 0.0262 0.1085
Echinococcus granulosus dna polymerase kappa 0.0019 0.0262 0.0227
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0262 0.1085
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2414 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0317 0.1313
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0032 0.0643 0.2664
Trypanosoma brucei unspecified product 0.0013 0.009 0.0374
Schistosoma mansoni tar DNA-binding protein 0.0129 0.3496 0.4076
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0317 0.1313
Schistosoma mansoni cellular tumor antigen P53 0.0051 0.1215 0.139
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0129 0.3496 0.4076
Toxoplasma gondii 'chromo' (CHRromatin Organization MOdifier) domain-containing protein 0.0011 0.0036 0.0555
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0379 0.1442
Echinococcus multilocularis chromobox protein 1 0.0068 0.1704 0.1675
Brugia malayi RNA, U transporter 1 0.008 0.2057 0.5053
Schistosoma mansoni tar DNA-binding protein 0.0129 0.3496 0.4076
Giardia lamblia Kinase, PLK 0.0092 0.2414 1
Echinococcus multilocularis snurportin 1 0.0301 0.8525 0.852
Entamoeba histolytica serine/threonine protein kinase, putative 0.0092 0.2414 1
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0033 0.0666 0.1575
Brugia malayi serine/threonine-protein kinase plk-2 0.0092 0.2414 0.5945
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.1048 0.4257
Schistosoma mansoni hypothetical protein 0.0301 0.8525 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0262 0.1085
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0262 0.1085
Echinococcus granulosus chromobox protein 1 0.0068 0.1704 0.1675
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0262 0.5
Trypanosoma brucei unspecified product 0.0013 0.009 0.0374
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0317 0.0703
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0535 0.0501

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 63.0957 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 125.8925 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference

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

No literature references available for this target.

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