Detailed information for compound 203117

Basic information

Technical information
  • TDR Targets ID: 203117
  • Name: 2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]p henoxy]-2-methylpropanoic acid
  • MW: 427.492 | Formula: C27H25NO4
  • H donors: 1 H acceptors: 3 LogP: 6.07 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(Oc1cccc(c1)CCc1nc(c(o1)c1ccccc1)c1ccccc1)(C)C
  • InChi: 1S/C27H25NO4/c1-27(2,26(29)30)32-22-15-9-10-19(18-22)16-17-23-28-24(20-11-5-3-6-12-20)25(31-23)21-13-7-4-8-14-21/h3-15,18H,16-17H2,1-2H3,(H,29,30)
  • InChiKey: WDRQADMQYLOVBZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[3-[2-(4,5-diphenyloxazol-2-yl)ethyl]phenoxy]-2-methyl-propanoic acid
  • 2-[3-[2-(4,5-diphenyl-2-oxazolyl)ethyl]phenoxy]-2-methylpropanoic acid
  • 2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]phenoxy]-2-methyl-propanoic acid
  • 2-[3-[2-(4,5-diphenyloxazol-2-yl)ethyl]phenoxy]-2-methyl-propionic acid
  • 2-[3-[2-[4,5-di(phenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]-2-methylpropanoic acid
  • 2-[3-[2-[4,5-di(phenyl)oxazol-2-yl]ethyl]phenoxy]-2-methyl-propanoic acid
  • 2-[3-[2-[4,5-di(phenyl)-2-oxazolyl]ethyl]phenoxy]-2-methylpropanoic acid
  • 2-[3-[2-[4,5-di(phenyl)oxazol-2-yl]ethyl]phenoxy]-2-methyl-propionic acid
  • 2-[3-[2-[4,5-di(phenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]-2-methyl-propanoic acid

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 multilocularis hexokinase 0.0084 0.3471 0.2841
Echinococcus granulosus hexokinase type 2 0.0084 0.3471 0.2841
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0067 0.2449 0.2422
Trypanosoma cruzi DNA polymerase eta, putative 0.0068 0.2488 0.2461
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.088 0.0848
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0067 0.2449 0.2422
Trypanosoma cruzi hexokinase, putative 0.0084 0.3471 0.3448
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0041 0.088 0.088
Brugia malayi hypothetical protein 0.0027 0.0035 0.0035
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0067 0.2449 0.2422
Loa Loa (eye worm) hypothetical protein 0.0027 0.0043 0.0043
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.088 0.0848
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0067 0.2449 0.5
Plasmodium falciparum hexokinase 0.0084 0.3471 0.3448
Mycobacterium tuberculosis Probable oxidoreductase 0.0067 0.2449 0.172
Brugia malayi hexokinase type II 0.0027 0.0043 0.0043
Toxoplasma gondii hexokinase 0.0084 0.3471 0.3448
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.1591 0.1591
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.088 0.0848
Echinococcus granulosus hexokinase 0.0084 0.3471 0.2841
Leishmania major hexokinase, putative 0.0084 0.3471 0.3448
Loa Loa (eye worm) hypothetical protein 0.0027 0.0043 0.0043
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0067 0.2449 0.2422
Echinococcus multilocularis hexokinase type 2 0.0084 0.3471 0.2841
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.088 0.0848
Loa Loa (eye worm) thioredoxin reductase 0.0194 1 1
Trypanosoma brucei unspecified product 0.0028 0.0124 0.0089
Loa Loa (eye worm) hypothetical protein 0.0036 0.0595 0.0595
Echinococcus multilocularis thioredoxin glutathione reductase 0.0194 1 1
Leishmania major trypanothione reductase 0.0194 1 1
Entamoeba histolytica hexokinase 2 0.0084 0.3471 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0067 0.2449 0.2422
Loa Loa (eye worm) glutathione reductase 0.0194 1 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0035 0.0035
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0067 0.2449 0.2422
Leishmania major DNA polymerase kappa, putative 0.0041 0.088 0.0848
Echinococcus granulosus geminin 0.0179 0.9138 0.9055
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.088 0.0848
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.088 0.0848
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0067 0.2449 0.2422
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.088 0.0848
Trypanosoma brucei hexokinase 0.0084 0.3471 0.3448
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0067 0.2449 1
Trichomonas vaginalis mercuric reductase, putative 0.0067 0.2449 1
Brugia malayi Hexokinase family protein 0.0084 0.3471 0.3471
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.1591 0.1591
Onchocerca volvulus 0.0084 0.3471 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0194 1 1
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0067 0.2449 0.2422
Trypanosoma brucei DNA polymerase eta, putative 0.0068 0.2488 0.2461
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0067 0.2449 0.172
Schistosoma mansoni DNA polymerase eta 0.0068 0.2488 0.2012
Echinococcus multilocularis geminin 0.0179 0.9138 0.9055
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.088 0.0848
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0067 0.2449 0.5
Loa Loa (eye worm) hypothetical protein 0.0068 0.2488 0.2488
Plasmodium vivax hexokinase, putative 0.0084 0.3471 0.3448
Onchocerca volvulus 0.0084 0.3471 1
Trypanosoma brucei hexokinase 0.0084 0.3471 0.3448
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0067 0.2449 0.2422
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0067 0.2449 0.5
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0067 0.2449 0.2422
Brugia malayi ImpB/MucB/SamB family protein 0.0041 0.088 0.088
Trichomonas vaginalis glutathione reductase, putative 0.0067 0.2449 1
Brugia malayi Hexokinase family protein 0.0053 0.1598 0.1598
Plasmodium falciparum thioredoxin reductase 0.0067 0.2449 0.2422
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.088 0.0848
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.088 0.0848
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0067 0.2449 0.2422
Schistosoma mansoni hexokinase 0.0084 0.3471 0.3058
Loa Loa (eye worm) hypothetical protein 0.0057 0.1873 0.1873
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.088 0.0848
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0067 0.2449 1
Echinococcus granulosus hexokinase 0.0084 0.3471 0.2841
Brugia malayi hexokinase 0.0084 0.3471 0.3471
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0067 0.2449 0.2422
Loa Loa (eye worm) hexokinase 0.0053 0.1598 0.1598
Trypanosoma brucei trypanothione reductase 0.0194 1 1
Brugia malayi ImpB/MucB/SamB family protein 0.0068 0.2488 0.2488
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0067 0.2449 0.2422
Echinococcus granulosus hexokinase 0.0084 0.3471 0.2841
Echinococcus multilocularis dna polymerase eta 0.0068 0.2488 0.1763
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0067 0.2449 0.2422
Loa Loa (eye worm) hexokinase 0.0084 0.3471 0.3471
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0067 0.2449 0.2422
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0595 0.0595
Onchocerca volvulus 0.0084 0.3471 1
Schistosoma mansoni hypothetical protein 0.0179 0.9138 0.9083
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0049 0.1386 0.1386
Plasmodium falciparum glutathione reductase 0.0067 0.2449 0.2422
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0067 0.2449 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0041 0.088 0.0848
Trypanosoma brucei DNA polymerase kappa, putative 0.0028 0.0124 0.0089
Loa Loa (eye worm) hypothetical protein 0.0053 0.1591 0.1591
Toxoplasma gondii thioredoxin reductase 0.0194 1 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0067 0.2449 0.172
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0067 0.2449 0.2449
Trypanosoma cruzi DNA polymerase eta, putative 0.004 0.0808 0.0776
Plasmodium vivax glutathione reductase, putative 0.0194 1 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0194 1 1
Plasmodium vivax thioredoxin reductase, putative 0.0194 1 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.004 0.0808 0.0776
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0067 0.2449 0.172
Trypanosoma brucei hexokinase, putative 0.0084 0.3471 0.3448
Leishmania major hexokinase, putative 0.0084 0.3471 0.3448
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0067 0.2449 0.1971
Trypanosoma brucei DNA polymerase kappa, putative 0.0028 0.0124 0.0089
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.088 0.0848
Giardia lamblia NADH oxidase lateral transfer candidate 0.0067 0.2449 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.1591 0.1591
Loa Loa (eye worm) hexokinase type II 0.0084 0.3471 0.3471
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0067 0.2449 0.2422
Toxoplasma gondii NADPH-glutathione reductase 0.0067 0.2449 0.2422
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0067 0.2449 0.2422
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0067 0.2449 0.2422
Plasmodium falciparum glutathione reductase 0.0194 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0028 0.0124 0.0089
Echinococcus multilocularis hexokinase 0.0084 0.3471 0.2841
Echinococcus multilocularis hexokinase 0.0084 0.3471 0.2841
Schistosoma mansoni terminal deoxycytidyl transferase 0.0041 0.088 0.0303
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0067 0.2449 0.2422
Entamoeba histolytica hexokinase 1 0.0084 0.3471 1
Schistosoma mansoni hypothetical protein 0.0179 0.9138 0.9083
Echinococcus granulosus dna polymerase eta 0.0068 0.2488 0.1763
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.088 0.0848
Loa Loa (eye worm) hexokinase 0.0084 0.3471 0.3471
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0041 0.088 0.0303
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.088 0.0848
Treponema pallidum hexokinase (hxk) 0.0084 0.3471 1
Trypanosoma cruzi trypanothione reductase, putative 0.0194 1 1
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0067 0.2449 0.2422
Trypanosoma brucei unspecified product 0.0041 0.088 0.0848
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0067 0.2449 0.172
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.088 0.0848
Trypanosoma cruzi trypanothione reductase, putative 0.0067 0.2449 0.2422
Brugia malayi Thioredoxin reductase 0.0194 1 1
Leishmania major DNA polymerase eta, putative 0.004 0.0808 0.0776
Trypanosoma brucei unspecified product 0.0028 0.0124 0.0089
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0049 0.1386 0.1386
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.088 0.0848
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0067 0.2449 0.172
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0067 0.2449 0.2422
Trypanosoma cruzi hexokinase, putative 0.0084 0.3471 0.3448
Plasmodium falciparum thioredoxin reductase 0.0194 1 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0067 0.2449 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.088 0.0848
Leishmania major DNA polymerase eta, putative 0.0068 0.2488 0.2461

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 75 uM Inhibition of ADP-induced human platelet aggregation. ChEMBL. 1404230

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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