Detailed information for compound 132470

Basic information

Technical information
  • TDR Targets ID: 132470
  • Name: 3-[4-[3-[3-(ethoxymethyl)-1,2-oxazol-5-yl]pro poxy]-3,5-dimethylphenyl]-5-methyl-1,2,4-oxad iazole
  • MW: 371.43 | Formula: C20H25N3O4
  • H donors: 0 H acceptors: 3 LogP: 3.75 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOCc1noc(c1)CCCOc1c(C)cc(cc1C)c1noc(n1)C
  • InChi: 1S/C20H25N3O4/c1-5-24-12-17-11-18(27-22-17)7-6-8-25-19-13(2)9-16(10-14(19)3)20-21-15(4)26-23-20/h9-11H,5-8,12H2,1-4H3
  • InChiKey: XDVVRXSAHNDCBJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[4-[3-[3-(ethoxymethyl)isoxazol-5-yl]propoxy]-3,5-dimethyl-phenyl]-5-methyl-1,2,4-oxadiazole
  • 3-[4-[3-[3-(ethoxymethyl)-5-isoxazolyl]propoxy]-3,5-dimethylphenyl]-5-methyl-1,2,4-oxadiazole
  • 3-[4-[3-[3-(ethoxymethyl)-1,2-oxazol-5-yl]propoxy]-3,5-dimethyl-phenyl]-5-methyl-1,2,4-oxadiazole
  • 1,2,4-Oxadiazole, 3-[4-[3-[3-(ethoxymethyl)-5-isoxazolyl]propoxy]-3,5-dimethylphenyl]-5-methyl-
  • AIDS-223080
  • AIDS223080

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
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0013 0.0002 0.0002
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0013 0.0002 0.0002
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0039 0.3693
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0083 0.0301 0.279
Echinococcus multilocularis geminin 0.0194 0.0767 0.0767
Onchocerca volvulus 0.0057 0.0191 1
Onchocerca volvulus 0.0042 0.0125 0.399
Schistosoma mansoni hypothetical protein 0.0055 0.0179 0.0179
Mycobacterium tuberculosis Conserved protein 0.0042 0.0125 0.1144
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0081 0.0081
Echinococcus multilocularis survival motor neuron protein 1 0.027 0.1091 0.1091
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0266 0.1074 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0093 0.0341 0.3157
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0018 0.0025 0.1858
Schistosoma mansoni serine/threonine protein kinase 0.2376 1 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.01 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0039 0.3044
Echinococcus granulosus thioredoxin glutathione reductase 0.0037 0.0105 0.0105
Loa Loa (eye worm) hypothetical protein 0.027 0.1091 0.1091
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0039 0.0039
Trypanosoma cruzi trypanothione reductase, putative 0.0037 0.0103 0.8241
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0039 0.0039
Loa Loa (eye worm) thioredoxin reductase 0.0037 0.0103 0.0103
Mycobacterium tuberculosis Conserved protein 0.0042 0.0125 0.1144
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.01 0.7944
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.01 0.01
Loa Loa (eye worm) hypothetical protein 0.0031 0.0081 0.0081
Loa Loa (eye worm) latrophilin receptor protein 2 0.0055 0.0179 0.0179
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.2376 1 1
Loa Loa (eye worm) hypothetical protein 0.0172 0.0678 0.0678
Echinococcus granulosus lamin dm0 0.0031 0.0081 0.0081
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0013 0.0002 0.0002
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.01 0.7944
Onchocerca volvulus 0.0055 0.0182 0.9153
Loa Loa (eye worm) hypothetical protein 0.0042 0.0125 0.0125
Loa Loa (eye worm) isocitrate dehydrogenase 0.0018 0.0025 0.0025
Schistosoma mansoni intermediate filament proteins 0.0031 0.0081 0.0081
Brugia malayi hypothetical protein 0.027 0.1091 0.1091
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0083 0.0301 0.279
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0125 1
Schistosoma mansoni hypothetical protein 0.0194 0.0767 0.0767
Plasmodium vivax hypothetical protein, conserved 0.0042 0.0125 1
Echinococcus granulosus geminin 0.0194 0.0767 0.0767
Trichomonas vaginalis esterase, putative 0.0042 0.0125 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0083 0.0301 0.279
Plasmodium vivax glutathione reductase, putative 0.0037 0.0103 0.8241
Echinococcus granulosus lamin 0.0031 0.0081 0.0081
Brugia malayi Latrophilin receptor protein 2 0.0055 0.0179 0.0179
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.01 0.7944
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0025 0.0025
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0039 0.3044
Plasmodium falciparum glutathione reductase 0.0037 0.0103 1
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0081 0.0081
Echinococcus granulosus survival motor neuron protein 1 0.027 0.1091 0.1091
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0018 0.0025 0.0025
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0055 0.0179 0.0179
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.01 0.7944
Onchocerca volvulus 0.0042 0.0125 0.399
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0125 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0042 0.0125 0.1144
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0042 0.0125 0.0125
Schistosoma mansoni hypothetical protein 0.0055 0.0182 0.0182
Brugia malayi beta-lactamase family protein 0.0042 0.0125 0.0125
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0055 0.0179 0.0179
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0039 0.3044
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0042 0.0125 0.0125
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0025 0.1858
Brugia malayi intermediate filament protein 0.0031 0.0081 0.0081
Echinococcus multilocularis tumor protein p63 0.0391 0.1605 0.1605
Schistosoma mansoni gabp alpha 0.0084 0.0303 0.0303
Brugia malayi Inositol-1 0.0036 0.01 0.01
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.01 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0055 0.0179 0.0179
Loa Loa (eye worm) hypothetical protein 0.0042 0.0125 0.0125
Schistosoma mansoni hypothetical protein 0.0055 0.0179 0.0179
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0039 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.0039 0.3044
Mycobacterium tuberculosis Conserved protein 0.0042 0.0125 0.1144
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0083 0.0301 0.8468
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0018 0.0025 0.0025
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0019 0.0019
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0039 0.3832
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0125 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0025 0.0025
Brugia malayi Isocitrate dehydrogenase 0.0018 0.0025 0.0025
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0018 0.0025 0.1858
Mycobacterium tuberculosis Probable esterase LipL 0.0042 0.0125 0.1144
Loa Loa (eye worm) hypothetical protein 0.0015 0.001 0.001
Brugia malayi isocitrate dehydrogenase 0.0018 0.0025 0.0025
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.01 0.7944
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.0125 1
Loa Loa (eye worm) transcription factor SMAD2 0.0136 0.0525 0.0525
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.0039 0.0348
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0039 0.3044
Brugia malayi Ets-domain containing protein 0.0084 0.0303 0.0303
Echinococcus granulosus GPCR family 2 0.0055 0.0179 0.0179
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0018 0.0025 0.1858
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0172 0.0678 0.0678
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0039 0.3044
Echinococcus multilocularis beta LACTamase domain containing family member 0.0042 0.0125 0.0125
Echinococcus granulosus intermediate filament protein 0.0031 0.0081 0.0081
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0037 0.0103 0.0942
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0019 0.0019
Leishmania major trypanothione reductase 0.0037 0.0103 0.8241
Schistosoma mansoni hypothetical protein 0.0118 0.0447 0.0447
Leishmania major hypothetical protein, conserved 0.0042 0.0125 1
Mycobacterium ulcerans lipase LipD 0.0042 0.0125 1
Onchocerca volvulus 0.0042 0.0125 0.399
Mycobacterium tuberculosis Probable hydrolase 0.0042 0.0125 0.1144
Echinococcus granulosus beta LACTamase domain containing family member 0.0042 0.0125 0.0125
Toxoplasma gondii exonuclease III APE 0.0021 0.0039 0.3044
Schistosoma mansoni lamin 0.0031 0.0081 0.0081
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0042 0.0125 1
Plasmodium falciparum thioredoxin reductase 0.0037 0.0103 1
Echinococcus multilocularis GPCR, family 2 0.0055 0.0179 0.0179
Mycobacterium tuberculosis Probable reductase 0.0083 0.0301 0.279
Schistosoma mansoni hypothetical protein 0.0055 0.0179 0.0179
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0013 0.0002 0.0002
Plasmodium vivax thioredoxin reductase, putative 0.0037 0.0103 0.8241
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0083 0.0301 0.279
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0039 0.3044
Mycobacterium leprae Probable lipase LipE 0.0042 0.0125 0.1597
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.01 0.7944
Loa Loa (eye worm) hypothetical protein 0.0055 0.0179 0.0179
Echinococcus multilocularis lamin 0.0031 0.0081 0.0081
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0015 0.0012 0.0012
Loa Loa (eye worm) hypothetical protein 0.0042 0.0125 0.0125
Loa Loa (eye worm) hypothetical protein 0.0015 0.001 0.001
Loa Loa (eye worm) hypothetical protein 0.0118 0.0447 0.0447
Brugia malayi Calcitonin receptor-like protein seb-1 0.0172 0.0678 0.0678
Echinococcus multilocularis GA binding protein alpha chain 0.0084 0.0303 0.0303
Mycobacterium tuberculosis Probable lipase LipE 0.0042 0.0125 0.1144
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.0084 0.0761
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0039 0.3044
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0093 0.0341 0.3157
Brugia malayi MH2 domain containing protein 0.0136 0.0525 0.0525
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.2376 1 1
Schistosoma mansoni lamin 0.0031 0.0081 0.0081
Loa Loa (eye worm) hypothetical protein 0.0042 0.0125 0.0125
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0125 0.0125
Loa Loa (eye worm) fli-1 protein 0.0254 0.1024 0.1024
Mycobacterium ulcerans esterase/lipase LipP 0.0042 0.0125 1
Mycobacterium ulcerans hypothetical protein 0.0042 0.0125 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0018 0.0025 0.0025
Loa Loa (eye worm) inositol-1 0.0036 0.01 0.01
Loa Loa (eye worm) MH2 domain-containing protein 0.0136 0.0525 0.0525
Loa Loa (eye worm) hypothetical protein 0.0042 0.0125 0.0125
Mycobacterium tuberculosis Probable oxidoreductase 0.0093 0.0341 0.3157
Trypanosoma brucei trypanothione reductase 0.0037 0.0103 0.8241
Schistosoma mansoni hypothetical protein 0.0194 0.0767 0.0767
Schistosoma mansoni survival motor neuron protein 0.0055 0.0182 0.0182
Schistosoma mansoni inositol monophosphatase 0.0036 0.01 0.01
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0025 0.1858
Loa Loa (eye worm) hypothetical protein 0.0042 0.0125 0.0125
Loa Loa (eye worm) hypothetical protein 0.0072 0.0252 0.0252
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0013 0.0002 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0172 0.0678 0.0678
Echinococcus multilocularis isocitrate dehydrogenase 0.0018 0.0025 0.0025
Brugia malayi beta-lactamase family protein 0.0042 0.0125 0.0125
Loa Loa (eye worm) hypothetical protein 0.0015 0.0012 0.0012
Schistosoma mansoni ets-related 0.0254 0.1024 0.1024
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0039 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0025 0.1858
Mycobacterium ulcerans beta-lactamase 0.0042 0.0125 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0042 0.0125 0.1144
Brugia malayi beta-lactamase 0.0042 0.0125 0.0125
Echinococcus granulosus tumor protein p63 0.0391 0.1605 0.1605
Toxoplasma gondii ABC1 family protein 0.0042 0.0125 1
Brugia malayi Thioredoxin reductase 0.0037 0.0103 0.0103
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0055 0.0179 0.0179
Trypanosoma brucei hypothetical protein, conserved 0.0042 0.0125 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.01 0.7944
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0125 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.0125 1
Schistosoma mansoni cellular tumor antigen P53 0.0057 0.0191 0.0191
Toxoplasma gondii thioredoxin reductase 0.0037 0.0103 0.8241
Loa Loa (eye worm) beta-lactamase 0.0042 0.0125 0.0125
Echinococcus multilocularis thioredoxin glutathione reductase 0.0037 0.0105 0.0105
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0093 0.0341 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0018 0.0025 0.2255
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0084 0.0303 0.0303
Schistosoma mansoni ap endonuclease 0.0021 0.0039 0.0039
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0015 0.0012 0.0012
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.01 0.7944
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0039 0.0039
Schistosoma mansoni hypothetical protein 0.0055 0.0179 0.0179
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0125 1
Echinococcus granulosus MAP kinase activated protein kinase 2 0.2376 1 1
Brugia malayi Fli-1 protein 0.0254 0.1024 0.1024
Mycobacterium tuberculosis Probable dehydrogenase 0.0083 0.0301 0.279
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0081 0.0081
Echinococcus multilocularis lamin dm0 0.0031 0.0081 0.0081
Brugia malayi glutathione reductase 0.0037 0.0103 0.0103
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.01 0.01
Echinococcus granulosus GA binding protein alpha chain 0.0084 0.0303 0.0303
Toxoplasma gondii isocitrate dehydrogenase 0.0018 0.0025 0.1858
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0039 0.0039
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0042 0.0125 0.1144
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0055 0.0182 0.0182
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0018 0.0025 0.0212
Schistosoma mansoni inositol monophosphatase 0.0036 0.01 0.01
Mycobacterium tuberculosis Probable lipase LipD 0.0042 0.0125 0.1144
Mycobacterium leprae conserved hypothetical protein 0.0042 0.0125 0.1597
Brugia malayi latrophilin 2 splice variant baaae 0.0118 0.0447 0.0447
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0125 0.0125
Loa Loa (eye worm) hypothetical protein 0.0057 0.0191 0.0191
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.01 0.7944
Schistosoma mansoni ap endonuclease 0.0021 0.0039 0.0039
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0025 0.0025
Loa Loa (eye worm) glutathione reductase 0.0037 0.0103 0.0103
Brugia malayi Ets-domain containing protein 0.0084 0.0303 0.0303
Echinococcus multilocularis musashi 0.0031 0.0081 0.0081
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0055 0.0179 0.0179
Loa Loa (eye worm) hypothetical protein 0.0031 0.0078 0.0078
Toxoplasma gondii isocitrate dehydrogenase 0.0018 0.0025 0.1858

Activities

Activity type Activity value Assay description Source Reference
MIC80 (functional) = 0.19 uM In vitro concentration required to inhibit 80 percent of human rhinovirus 15 serotypes was determined by TCID50 assay ChEMBL. 8057290

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

1 literature reference was collected for this gene.

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