Detailed information for compound 203123

Basic information

Technical information
  • TDR Targets ID: 203123
  • Name: 2-[3-[2-[4,5-bis(3-methylphenyl)-1,3-oxazol-2 -yl]ethyl]phenoxy]acetic acid
  • MW: 427.492 | Formula: C27H25NO4
  • H donors: 1 H acceptors: 3 LogP: 6.21 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)COc1cccc(c1)CCc1nc(c(o1)c1cccc(c1)C)c1cccc(c1)C
  • InChi: 1S/C27H25NO4/c1-18-6-3-9-21(14-18)26-27(22-10-4-7-19(2)15-22)32-24(28-26)13-12-20-8-5-11-23(16-20)31-17-25(29)30/h3-11,14-16H,12-13,17H2,1-2H3,(H,29,30)
  • InChiKey: OUWOGGQZDPXPMM-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[3-[2-[4,5-bis(m-tolyl)oxazol-2-yl]ethyl]phenoxy]acetic acid
  • 2-[3-[2-[4,5-bis(m-tolyl)-2-oxazolyl]ethyl]phenoxy]acetic acid
  • 2-[3-[2-[4,5-bis(3-methylphenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]ethanoic acid
  • 2-[3-[2-[4,5-bis(3-methylphenyl)oxazol-2-yl]ethyl]phenoxy]acetic acid
  • 2-[3-[2-[4,5-bis(3-methylphenyl)-2-oxazolyl]ethyl]phenoxy]acetic 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
Brugia malayi hypothetical protein 0.1001 0.4558 1
Schistosoma mansoni lamin 0.0031 0.0071 0.0071
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0116 0.0462 1
Trypanosoma cruzi Aminopeptidase M1, putative 0.0116 0.0462 1
Echinococcus granulosus lamin dm0 0.0031 0.0071 0.0068
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0099 0.0097
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0008 0.0008
Echinococcus multilocularis zinc finger protein 0.002 0.0021 0.0018
Toxoplasma gondii aminopeptidase N protein 0.0116 0.0462 1
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0116 0.0462 1
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0116 0.0462 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0116 0.0462 0.0459
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.01 0.2155
Brugia malayi Bromodomain containing protein 0.004 0.0111 0.0237
Loa Loa (eye worm) leukotriene A4 hydrolase 0.2177 1 1
Brugia malayi Bromodomain containing protein 0.0078 0.0287 0.0625
Onchocerca volvulus 0.0116 0.0462 1
Brugia malayi beta-lactamase 0.0037 0.01 0.0213
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0116 0.0462 0.0462
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0116 0.0462 1
Echinococcus granulosus lamin 0.0031 0.0071 0.0068
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0116 0.0462 1
Mycobacterium tuberculosis Conserved protein 0.0037 0.01 0.0943
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0026 0.0023
Onchocerca volvulus 0.0037 0.01 0.0738
Schistosoma mansoni hypothetical protein 0.0176 0.0741 0.0741
Brugia malayi hypothetical protein 0.0116 0.0462 0.1008
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.01 0.0213
Loa Loa (eye worm) hypothetical protein 0.0037 0.01 0.0097
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0043 0.0124 0.0122
Schistosoma mansoni hypothetical protein 0.0176 0.0741 0.0741
Loa Loa (eye worm) hypothetical protein 0.0037 0.01 0.0097
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0116 0.0462 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0035 0.0032
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.01 0.0097
Toxoplasma gondii aminopeptidase N, putative 0.0116 0.0462 1
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.2177 1 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0131 0.0129
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0011 0.0009
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0099 0.0097
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0116 0.0462 0.0459
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0043 0.0124 0.0124
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.01 0.0097
Trypanosoma brucei aminopeptidase, putative 0.0116 0.0462 1
Onchocerca volvulus 0.0116 0.0462 1
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0116 0.0462 1
Loa Loa (eye worm) beta-lactamase 0.0037 0.01 0.0097
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0043 0.0124 0.0681
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0043 0.0124 0.0122
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0002 0.0002
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0116 0.0462 1
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0043 0.0124 0.0124
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0116 0.0462 0.0459
Loa Loa (eye worm) hypothetical protein 0.0042 0.0122 0.012
Loa Loa (eye worm) hypothetical protein 0.0073 0.0266 0.0264
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0116 0.0462 0.0462
Schistosoma mansoni intermediate filament proteins 0.0031 0.0071 0.0071
Toxoplasma gondii ABC1 family protein 0.0037 0.01 0.2114
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.01 0.0943
Schistosoma mansoni lamin 0.0031 0.0071 0.0071
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0116 0.0462 0.0459
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0008 0.0008
Echinococcus multilocularis leukotriene A 4 hydrolase 0.2177 1 1
Mycobacterium leprae Probable lipase LipE 0.0037 0.01 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0.0071 0.0068
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0116 0.0462 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.01 0.0097
Mycobacterium ulcerans aminopeptidase N PepN 0.0116 0.0462 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0004 0.0001
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0116 0.0462 0.0459
Brugia malayi Peptidase family M1 containing protein 0.0116 0.0462 0.1008
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0116 0.0462 0.0459
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0002 0.0052
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.01 0.0943
Echinococcus multilocularis geminin 0.0176 0.0741 0.0739
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0043 0.0124 0.269
Loa Loa (eye worm) hypothetical protein 0.0018 0.0008 0.0006
Brugia malayi intermediate filament protein 0.0031 0.0071 0.015
Loa Loa (eye worm) hypothetical protein 0.004 0.0111 0.0108
Echinococcus granulosus histone lysine methyltransferase setb 0.0018 0.0008 0.0006
Onchocerca volvulus 0.0116 0.0462 1
Mycobacterium ulcerans aminopeptidase N PepN 0.0116 0.0462 1
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0043 0.0124 0.269
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.01 0.0097
Trypanosoma brucei Aminopeptidase M1, putative 0.0116 0.0462 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0116 0.0462 0.0459
Echinococcus granulosus geminin 0.0176 0.0741 0.0739
Echinococcus granulosus intermediate filament protein 0.0031 0.0071 0.0068
Mycobacterium tuberculosis Conserved protein 0.0037 0.01 0.0943
Loa Loa (eye worm) hypothetical protein 0.0037 0.01 0.0097
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.01 0.2155
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0043 0.0124 0.0122
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0116 0.0462 0.0459
Brugia malayi hypothetical protein 0.0116 0.0462 0.1008
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0116 0.0462 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0002 0.0052
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0002 0.0052
Loa Loa (eye worm) hypothetical protein 0.0116 0.0462 0.0459
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0043 0.0124 0.0681
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0035 0.0032
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.01 0.0943
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.01 0.0943
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0116 0.0462 1
Entamoeba histolytica aminopeptidase, putative 0.0116 0.0462 1
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0116 0.0462 1
Trypanosoma brucei Aminopeptidase M1, putative 0.0116 0.0462 1
Brugia malayi TATA binding protein associated factor 0.0116 0.0462 0.1008
Echinococcus multilocularis musashi 0.0031 0.0071 0.0068
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0018 0.0008 0.0006
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0071 0.0068
Echinococcus granulosus zinc finger protein 0.002 0.0021 0.0018
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0116 0.0462 1
Trypanosoma cruzi aminopeptidase, putative 0.0116 0.0462 1
Trypanosoma cruzi aminopeptidase, putative 0.0116 0.0462 1
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0043 0.0124 0.269
Loa Loa (eye worm) hypothetical protein 0.0031 0.0068 0.0066
Brugia malayi beta-lactamase family protein 0.0037 0.01 0.0213
Brugia malayi Peptidase family M1 containing protein 0.0116 0.0462 0.1008
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0008 0.0008
Echinococcus granulosus aminopeptidase N 0.0116 0.0462 0.0459
Loa Loa (eye worm) hypothetical protein 0.0116 0.0462 0.0459
Echinococcus granulosus ubiquitin specific protease 41 0.0043 0.0124 0.0122
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.01 0.0943
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.0002 0.0052
Echinococcus multilocularis aminopeptidase N 0.0116 0.0462 0.0459
Loa Loa (eye worm) peptidase family M1 containing protein 0.0116 0.0462 0.0459
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.01 0.01
Schistosoma mansoni aminopeptidase A (M01 family) 0.0116 0.0462 0.0462
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0116 0.0462 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0035 0.0035
Loa Loa (eye worm) aminopeptidase N 0.0116 0.0462 0.0459
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0116 0.0462 1
Schistosoma mansoni zinc finger protein 0.002 0.0021 0.0021
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0004 0.0003
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0116 0.0462 1
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0116 0.0462 0.0462
Brugia malayi Peptidase family M1 containing protein 0.0116 0.0462 0.1008
Onchocerca volvulus 0.0037 0.01 0.0738
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0008 0.0008
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0043 0.0124 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0116 0.0462 0.0459
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.01 0.01
Echinococcus multilocularis ubiquitin specific protease 41 0.0043 0.0124 0.0122
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.01 0.0943
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0239 0.1032 1
Onchocerca volvulus 0.0037 0.01 0.0738
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.0213 0.0211
Loa Loa (eye worm) hypothetical protein 0.0037 0.01 0.0097
Loa Loa (eye worm) hypothetical protein 0.0037 0.01 0.0097
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.01 0.2155
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.0213 0.0211
Mycobacterium leprae conserved hypothetical protein 0.0037 0.01 0.5
Brugia malayi beta-lactamase family protein 0.0037 0.01 0.0213
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0116 0.0462 0.0459
Loa Loa (eye worm) hypothetical protein 0.0043 0.0124 0.0122
Plasmodium vivax hypothetical protein, conserved 0.0037 0.01 0.2114
Echinococcus multilocularis lamin 0.0031 0.0071 0.0068
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0018 0.0008 0.0006
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0043 0.0124 0.0122
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0124 0.0681
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0043 0.0124 0.269
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0043 0.0124 0.0267
Echinococcus multilocularis lamin dm0 0.0031 0.0071 0.0068
Echinococcus granulosus methyl CpG binding domain protein 2 0.0018 0.0008 0.0006
Schistosoma mansoni bromodomain containing protein 0.0066 0.0231 0.0231
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.01 0.0943
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0116 0.0462 1
Schistosoma mansoni hypothetical protein 0.0021 0.0026 0.0026
Toxoplasma gondii aminopeptidase n, putative 0.0116 0.0462 1
Brugia malayi PHD-finger family protein 0.0026 0.0046 0.0096
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0116 0.0462 0.0459
Loa Loa (eye worm) TATA binding protein associated factor 0.0116 0.0462 0.0459
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0071 0.0068
Loa Loa (eye worm) hypothetical protein 0.0116 0.0462 0.0459
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0116 0.0462 0.0459
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0002 0.0052
Leishmania major hypothetical protein, conserved 0.0037 0.01 0.2155
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0071 0.015
Mycobacterium tuberculosis Conserved protein 0.0037 0.01 0.0943

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 75 uM Inhibition of ADP-induced aggregation of human blood platelets in plasma ChEMBL. 1404231
Inhibition (functional) = 30 % Compound was tested for inhibition of ADP-induced aggregation of blood platelets in human platelet rich plasma at >75 microM concentration ChEMBL. 1404231

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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