TDR Targets

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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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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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

Ranking Plot

Putative Targets List

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

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

PubChem: 10410272

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 203123