Detailed information for compound 792808

Basic information

Technical information
  • TDR Targets ID: 792808
  • Name: 5-[(2,4-difluorophenoxy)methyl]-3-[4-(trifluo romethyl)phenyl]-1,2,4-oxadiazole
  • MW: 356.247 | Formula: C16H9F5N2O2
  • H donors: 0 H acceptors: 2 LogP: 4.39 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(c(c1)F)OCc1onc(n1)c1ccc(cc1)C(F)(F)F
  • InChi: 1S/C16H9F5N2O2/c17-11-5-6-13(12(18)7-11)24-8-14-22-15(23-25-14)9-1-3-10(4-2-9)16(19,20)21/h1-7H,8H2
  • InChiKey: RRICHXQIRFXVMI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ZINC01432784
  • A3802/0161355

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
Echinococcus granulosus tar DNA binding protein 0.0269 0.3258 0.3673
Loa Loa (eye worm) beta-lactamase 0.0041 0.03 0.035
Mycobacterium ulcerans esterase/lipase LipP 0.0041 0.03 1
Mycobacterium leprae Probable lipase LipE 0.0041 0.03 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0217 0.0246
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.0622 1
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.03 0.4414
Brugia malayi Pyruvate kinase, M2 isozyme 0.0034 0.0217 0.0246
Schistosoma mansoni pyruvate kinase 0.0034 0.0217 0.0245
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0041 0.03 0.035
Mycobacterium tuberculosis Probable esterase LipL 0.0041 0.03 0.0823
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0041 0.03 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.03 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.0622 1
Giardia lamblia Pyruvate kinase 0.0034 0.0217 1
Brugia malayi hypothetical protein 0.0024 0.0087 0.0082
Schistosoma mansoni cellular tumor antigen P53 0.01 0.1061 0.1196
Leishmania major pyruvate kinase 0.0034 0.0217 0.2987
Plasmodium falciparum LCCL domain-containing protein 0.0019 0.0022 0.1026
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0147 0.1676 0.189
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.0217 0.1874
Schistosoma mansoni hypothetical protein 0.0076 0.0753 0.085
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0044 0.005
Trichomonas vaginalis esterase, putative 0.0041 0.03 1
Echinococcus multilocularis muscleblind protein 0.0632 0.7948 0.7948
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0044 0.5
Brugia malayi Pyruvate kinase, muscle isozyme 0.0034 0.0217 0.0246
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0087 0.0746
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.03 1
Entamoeba histolytica hypothetical protein 0.0076 0.0753 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0087 0.0746
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0041 0.03 0.0823
Entamoeba histolytica hypothetical protein 0.0076 0.0753 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0054 0.0474 0.0535
Loa Loa (eye worm) pyruvate kinase 0.0034 0.0217 0.0246
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.03 0.4414
Echinococcus multilocularis Polycystic kidney disease protein 0.0019 0.0022 0.0022
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0054 0.0474 0.0474
Leishmania major hypothetical protein, conserved 0.0024 0.0087 0.0746
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0087 0.2918
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.03 0.0338
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0147 0.1676 0.189
Echinococcus multilocularis tar DNA binding protein 0.0269 0.3258 0.3258
Chlamydia trachomatis pyruvate kinase 0.0034 0.0217 0.5
Toxoplasma gondii ABC1 family protein 0.0041 0.03 1
Schistosoma mansoni pyruvate kinase 0.0034 0.0217 0.0245
Mycobacterium ulcerans lipase LipD 0.0041 0.03 1
Trypanosoma cruzi pyruvate kinase 2, putative 0.0034 0.0217 0.2987
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0087 0.4029
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0147 0.1676 0.1676
Mycobacterium tuberculosis Probable lipase LipD 0.0041 0.03 0.0823
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0022 0.0022
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0087 0.0746
Schistosoma mansoni polycystin 1-related 0.0019 0.0022 0.0025
Loa Loa (eye worm) hypothetical protein 0.0041 0.03 0.035
Mycobacterium tuberculosis Conserved protein 0.0041 0.03 0.0823
Loa Loa (eye worm) hypothetical protein 0.0632 0.7948 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0147 0.1676 0.1676
Echinococcus multilocularis beta LACTamase domain containing family member 0.0041 0.03 0.03
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0147 0.1676 0.2087
Echinococcus granulosus pyruvate kinase 0.0034 0.0217 0.0245
Echinococcus multilocularis transcription factor Dp 1 0.0038 0.0264 0.0264
Mycobacterium tuberculosis Probable lipase LipE 0.0041 0.03 0.0823
Entamoeba histolytica pyruvate kinase, putative 0.0024 0.0082 0.0533
Plasmodium vivax pyruvate kinase, putative 0.0034 0.0217 0.7244
Mycobacterium ulcerans hypothetical protein 0.0041 0.03 1
Echinococcus granulosus transcription factor Dp 1 0.0038 0.0264 0.0298
Echinococcus granulosus geminin 0.0703 0.887 1
Echinococcus granulosus muscleblind protein 0.0632 0.7948 0.8961
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0147 0.1676 0.189
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.03 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0076 0.0753 0.0753
Toxoplasma gondii exonuclease III APE 0.0021 0.0044 0.1478
Schistosoma mansoni rab6-interacting 0.0019 0.0022 0.0025
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0034 0.0217 0.0557
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.03 0.0338
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.0217 0.1874
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0066 0.0622 0.0622
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.0087 0.2918
Echinococcus multilocularis RUN 0.0019 0.0022 0.0022
Trichomonas vaginalis pyruvate kinase, putative 0.0034 0.0217 0.6766
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0066 0.0622 0.0757
Schistosoma mansoni ap endonuclease 0.0021 0.0044 0.005
Onchocerca volvulus 0.0041 0.03 0.2669
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.03 0.4414
Echinococcus granulosus tumor protein p63 0.0681 0.8584 0.9678
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.0622 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0041 0.03 0.0338
Schistosoma mansoni hypothetical protein 0.0703 0.887 1
Echinococcus granulosus RUN 0.0019 0.0022 0.0025
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0087 0.4029
Echinococcus multilocularis pyruvate kinase 0.0034 0.0217 0.0217
Schistosoma mansoni tar DNA-binding protein 0.0269 0.3258 0.3673
Echinococcus multilocularis pyruvate kinase 0.0027 0.0123 0.0123
Loa Loa (eye worm) hypothetical protein 0.01 0.1061 0.1311
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0044 0.2041
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0066 0.0622 0.8153
Brugia malayi beta-lactamase 0.0041 0.03 0.035
Loa Loa (eye worm) hypothetical protein 0.0041 0.03 0.035
Trichomonas vaginalis pyruvate kinase, putative 0.0034 0.0217 0.6766
Schistosoma mansoni lipoxygenase 0.0019 0.0022 0.0025
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0147 0.1676 0.2087
Echinococcus multilocularis pyruvate kinase 0.0034 0.0217 0.0217
Brugia malayi TAR-binding protein 0.0269 0.3258 0.4083
Plasmodium vivax multidomain scavenger receptor, putative 0.0019 0.0022 0.0743
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0041 0.03 0.0823
Schistosoma mansoni transcription factor LCR-F1 0.0076 0.0753 0.085
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0066 0.0622 0.0702
Brugia malayi RNA recognition motif domain containing protein 0.0269 0.3258 0.4083
Brugia malayi hypothetical protein 0.0076 0.0753 0.0923
Schistosoma mansoni loxhd1 0.0019 0.0022 0.0025
Leishmania major pyruvate kinase 0.0034 0.0217 0.2987
Loa Loa (eye worm) pyruvate kinase 0.0034 0.0217 0.0246
Brugia malayi beta-lactamase family protein 0.0041 0.03 0.035
Trypanosoma brucei pyruvate kinase 1 0.0034 0.0217 0.2987
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0269 0.3258 0.4083
Brugia malayi Muscleblind-like protein 0.0632 0.7948 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0044 0.2041
Schistosoma mansoni tar DNA-binding protein 0.0269 0.3258 0.3673
Schistosoma mansoni hypothetical protein 0.0703 0.887 1
Schistosoma mansoni tar DNA-binding protein 0.0269 0.3258 0.3673
Loa Loa (eye worm) pyruvate kinase 0.0034 0.0217 0.0246
Leishmania major hypothetical protein, conserved 0.0041 0.03 0.4414
Trypanosoma cruzi pyruvate kinase 2, putative 0.0034 0.0217 0.2987
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0066 0.0622 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.03 0.035
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.03 1
Loa Loa (eye worm) hypothetical protein 0.0632 0.7948 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0087 0.0082
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0044 0.5
Brugia malayi RNA binding protein 0.0269 0.3258 0.4083
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0044 0.0028
Schistosoma mansoni tar DNA-binding protein 0.0269 0.3258 0.3673
Mycobacterium tuberculosis Probable hydrolase 0.0041 0.03 0.0823
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.0217 0.1874
Mycobacterium tuberculosis Conserved protein 0.0041 0.03 0.0823
Trypanosoma brucei pyruvate kinase 1, putative 0.0034 0.0217 0.2987
Loa Loa (eye worm) RNA binding protein 0.0269 0.3258 0.4083
Mycobacterium tuberculosis Conserved protein 0.0041 0.03 0.0823
Brugia malayi beta-lactamase family protein 0.0041 0.03 0.035
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.03 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0022 0.0025
Schistosoma mansoni tar DNA-binding protein 0.0269 0.3258 0.3673
Schistosoma mansoni hypothetical protein 0.0019 0.0022 0.0025
Echinococcus multilocularis muscleblind protein 1 0.0632 0.7948 0.7948
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0044 0.1478
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0066 0.0622 0.0702
Plasmodium vivax hypothetical protein, conserved 0.0041 0.03 1
Mycobacterium leprae conserved hypothetical protein 0.0041 0.03 1
Onchocerca volvulus 0.0041 0.03 0.2669
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0022 0.0025
Mycobacterium ulcerans pyruvate kinase 0.0034 0.0217 0.6766
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0044 0.0028
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0147 0.1676 0.189
Echinococcus granulosus pyruvate kinase 0.0034 0.0217 0.0245
Schistosoma mansoni ap endonuclease 0.0021 0.0044 0.005
Loa Loa (eye worm) hypothetical protein 0.0041 0.03 0.035
Mycobacterium ulcerans beta-lactamase 0.0041 0.03 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.03 0.035
Onchocerca volvulus 0.0041 0.03 0.2669
Entamoeba histolytica hypothetical protein 0.0076 0.0753 1
Plasmodium falciparum pyruvate kinase 0.0034 0.0217 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0041 0.03 0.0823
Entamoeba histolytica hypothetical protein 0.0076 0.0753 1
Toxoplasma gondii pyruvate kinase PyK1 0.0034 0.0217 0.7244
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0044 0.0044
Loa Loa (eye worm) pyruvate kinase-PB 0.0024 0.0082 0.0075
Loa Loa (eye worm) hypothetical protein 0.0024 0.0082 0.0075
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0147 0.1676 0.189
Schistosoma mansoni lipoxygenase 0.0054 0.0474 0.0535
Echinococcus multilocularis tumor protein p63 0.0681 0.8584 0.8584
Echinococcus granulosus Polycystic kidney disease protein 0.0019 0.0022 0.0025
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0261 0.3147 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.03 0.035
Onchocerca volvulus 0.01 0.1061 1
Echinococcus multilocularis geminin 0.0703 0.887 0.887
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0076 0.0753 0.085
Loa Loa (eye worm) TAR-binding protein 0.0269 0.3258 0.4083
Schistosoma mansoni rab6-interacting 0.0019 0.0022 0.0025
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0041 0.03 0.035
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0022 0.0022
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0066 0.0622 0.0757

Activities

No activities found for this compound.

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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