TDR Targets

Basic information

Technical information

TDR Targets ID: 219204
Name: 3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)meth yl]-1-benzofuran-5-yl]-2-phenylmethoxypropano ic acid
MW: 467.513 | Formula: C29H25NO5
H donors: 1 H acceptors: 3 LogP: 6.03 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)C(Cc1ccc2c(c1)cc(o2)Cc1nc(oc1C)c1ccccc1)OCc1ccccc1
InChi: 1S/C29H25NO5/c1-19-25(30-28(34-19)22-10-6-3-7-11-22)17-24-16-23-14-21(12-13-26(23)35-24)15-27(29(31)32)33-18-20-8-4-2-5-9-20/h2-14,16,27H,15,17-18H2,1H3,(H,31,32)
InChiKey: DYUJAQYIESSIJO-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

2-benzyloxy-3-[2-[(5-methyl-2-phenyl-oxazol-4-yl)methyl]benzofuran-5-yl]propanoic acid
2-benzyloxy-3-[2-[(5-methyl-2-phenyl-4-oxazolyl)methyl]-5-benzofuranyl]propanoic acid
3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-2-phenylmethoxy-propanoic acid
2-benzoxy-3-[2-[(5-methyl-2-phenyl-oxazol-4-yl)methyl]benzofuran-5-yl]propionic acid
3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-2-(phenylmethoxy)propanoic acid
3-[2-[(5-methyl-2-phenyl-oxazol-4-yl)methyl]benzofuran-5-yl]-2-(phenylmethoxy)propanoic acid
3-[2-[(5-methyl-2-phenyl-4-oxazolyl)methyl]-5-benzofuranyl]-2-(phenylmethoxy)propanoic acid
2-(benzyloxy)-3-[2-[(5-methyl-2-phenyl-oxazol-4-yl)methyl]benzofuran-5-yl]propionic 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
Loa Loa (eye worm)	hypothetical protein	0.0412	1	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0012	0.0138	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0412	1	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0012	0.0138	0.0138
Loa Loa (eye worm)	MH1 domain-containing protein	0.001	0.0081	0.0081
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0012	0.0138	0.0138
Echinococcus multilocularis	FTZ F1 alpha	0.0012	0.0138	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0412	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0138	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0138	0.0138
Echinococcus granulosus	TGF beta signal transducer SmadC	0.001	0.0081	0.0081
Schistosoma mansoni	RAR-like nuclear receptor	0.0012	0.0138	0.0138
Brugia malayi	photoreceptor-specific nuclear receptor	0.0012	0.0138	0.0138
Schistosoma mansoni	smad1 5 8 and	0.001	0.0081	0.0081
Brugia malayi	MH2 domain containing protein	0.014	0.3303	0.3303
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0012	0.0138	0.0138
Schistosoma mansoni	retinoic acid receptor RXR	0.0012	0.0138	0.0138
Onchocerca volvulus	Peroxidasin homolog	0.0412	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0012	0.0138	0.0138
Loa Loa (eye worm)	steroid hormone receptor	0.0012	0.0138	0.0138
Brugia malayi	ecdysteroid receptor	0.0012	0.0138	0.0138
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0012	0.0138	0.0138
Brugia malayi	MH2 domain containing protein	0.001	0.0081	0.0081
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0012	0.0138	0.0138
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0012	0.0138	0.0138
Echinococcus granulosus	peroxidasin	0.0412	1	1
Loa Loa (eye worm)	hypothetical protein	0.0412	1	1
Loa Loa (eye worm)	hypothetical protein	0.0412	1	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0138	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0412	1	1
Brugia malayi	Animal haem peroxidase family protein	0.0412	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0012	0.0138	0.0138
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.001	0.0081	0.0081
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0012	0.0138	0.0138
Echinococcus multilocularis	muscleblind protein 1	0.0175	0.4171	0.4171
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0012	0.0138	0.0138
Brugia malayi	exodeoxyribonuclease III family protein	0.0022	0.039	0.039
Onchocerca volvulus	Peroxidase homolog	0.0412	1	1
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0022	0.039	0.5
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0138	0.0138
Brugia malayi	Steroid receptor seven-up type 2	0.0012	0.0138	0.0138
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0012	0.0138	0.0138
Toxoplasma gondii	exonuclease III APE	0.0022	0.039	0.5
Schistosoma mansoni	peroxidasin	0.0412	1	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0138	0.0138
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0022	0.039	0.039
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0012	0.0138	0.0138
Echinococcus multilocularis	ecdysone induced protein 78C	0.0012	0.0138	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0138	0.0138
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0012	0.0138	0.0138
Trichomonas vaginalis	ap endonuclease, putative	0.0022	0.039	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0012	0.0138	0.0138
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0138	0.0138
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0022	0.039	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0012	0.0138	0.0138
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0012	0.0138	0.0138
Echinococcus granulosus	muscleblind protein	0.0175	0.4171	0.4171
Brugia malayi	Animal haem peroxidase family protein	0.0412	1	1
Loa Loa (eye worm)	Smad1	0.001	0.0081	0.0081
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0012	0.0138	0.0138
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0012	0.0138	0.0138
Schistosoma mansoni	nuclear hormone receptor	0.0012	0.0138	0.0138
Onchocerca volvulus	Peroxidasin homolog	0.0412	1	1
Echinococcus granulosus	mothers against decapentaplegic 5	0.001	0.0081	0.0081
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0022	0.039	0.5
Schistosoma mansoni	smad1 5 8 and	0.001	0.0081	0.0081
Echinococcus granulosus	ecdysone induced protein 78C	0.0012	0.0138	0.0138
Brugia malayi	Muscleblind-like protein	0.0175	0.4171	0.4171
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0022	0.039	0.5
Schistosoma mansoni	smad	0.001	0.0081	0.0081
Echinococcus granulosus	Smad4	0.001	0.0081	0.0081
Loa Loa (eye worm)	blistered cuticle protein 3	0.0412	1	1
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0022	0.039	0.5
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0022	0.039	0.039
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0012	0.0138	0.0138
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0012	0.0138	0.0138
Echinococcus multilocularis	smad	0.001	0.0081	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0175	0.4171	0.4171
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0022	0.039	0.5
Brugia malayi	Animal haem peroxidase family protein	0.0412	1	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0012	0.0138	0.0138
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0022	0.039	0.5
Loa Loa (eye worm)	hypothetical protein	0.0412	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0012	0.0138	0.0138
Onchocerca volvulus		0.0412	1	1
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.001	0.0081	0.0081
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0012	0.0138	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0138	0.0138
Brugia malayi	Animal haem peroxidase family protein	0.0412	1	1
Onchocerca volvulus	Chorion peroxidase homolog	0.0412	1	1
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0022	0.039	0.5
Loa Loa (eye worm)	hypothetical protein	0.0412	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0012	0.0138	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0126	0.2956	0.2956
Echinococcus multilocularis	muscleblind protein	0.0175	0.4171	0.4171
Loa Loa (eye worm)	hypothetical protein	0.0412	1	1
Loa Loa (eye worm)	transcription factor SMAD2	0.014	0.3303	0.3303
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0012	0.0138	0.0138
Echinococcus granulosus	smad	0.001	0.0081	0.0081
Brugia malayi	nuclear hormone receptor	0.0012	0.0138	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0138	0.0138
Onchocerca volvulus		0.0412	1	1
Schistosoma mansoni	peroxidasin	0.0412	1	1
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0022	0.039	0.5
Brugia malayi	MH1 domain containing protein	0.001	0.0081	0.0081
Brugia malayi	Smad1	0.001	0.0081	0.0081
Brugia malayi	Blistered cuticle protein 3	0.0412	1	1
Loa Loa (eye worm)	helix-loop-helix DNA-binding domain-containing protein	0.0126	0.2956	0.2956
Schistosoma mansoni	coup transcription factor	0.0012	0.0138	0.0138
Brugia malayi	steroid hormone receptor	0.0012	0.0138	0.0138
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0022	0.039	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0138	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0412	1	1
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0022	0.039	0.5
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0138	0.0138
Schistosoma mansoni	smad1 5 8 and	0.001	0.0081	0.0081
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0012	0.0138	0.0138
Brugia malayi	Helix-loop-helix DNA-binding domain containing protein	0.0127	0.2971	0.2971
Onchocerca volvulus		0.0412	1	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0012	0.0138	0.0138
Schistosoma mansoni	Smad4	0.001	0.0081	0.0081
Onchocerca volvulus	Peroxidase homolog	0.0412	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0012	0.0138	0.0138
Loa Loa (eye worm)	animal heme peroxidase	0.0412	1	1
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0022	0.039	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0138	0.0138
Loa Loa (eye worm)	MH2 domain-containing protein	0.001	0.0081	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0412	1	1
Echinococcus multilocularis	mothers against decapentaplegic 5	0.001	0.0081	0.0081
Loa Loa (eye worm)	animal heme peroxidase	0.0412	1	1
Brugia malayi	MH1 domain containing protein	0.001	0.0081	0.0081
Schistosoma mansoni	ap endonuclease	0.0022	0.039	0.039
Echinococcus multilocularis	Smad4	0.001	0.0081	0.0081
Echinococcus multilocularis	peroxidasin	0.0412	1	1
Schistosoma mansoni	ap endonuclease	0.0022	0.039	0.039
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0138	0.0138
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0012	0.0138	0.0138
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0022	0.039	0.039
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0138	0.0138
Onchocerca volvulus	Dual oxidase homolog	0.0412	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0012	0.0138	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0412	1	1
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0138	0.0138
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0138	0.0138
Brugia malayi	nuclear receptor NHR-88	0.0012	0.0138	0.0138
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0138	0.0138
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0138	0.0138
Echinococcus granulosus	transcription factor eb	0.0127	0.2971	0.2971
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0012	0.0138	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0175	0.4171	0.4171
Loa Loa (eye worm)	MH2 domain-containing protein	0.014	0.3303	0.3303
Loa Loa (eye worm)	hypothetical protein	0.0412	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0138	0.0138
Echinococcus multilocularis	transcription factor eb	0.0127	0.2971	0.2971
Echinococcus granulosus	FTZ F1 alpha	0.0012	0.0138	0.0138
Trichomonas vaginalis	ap endonuclease, putative	0.0022	0.039	0.5
Loa Loa (eye worm)	animal heme peroxidase	0.0412	1	1
Brugia malayi	Peroxidasin	0.0412	1	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0138	0.0138
Brugia malayi	Animal haem peroxidase family protein	0.0412	1	1
Loa Loa (eye worm)	animal heme peroxidase	0.0412	1	1
Brugia malayi	MH2 domain containing protein	0.001	0.0081	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0412	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Glucose normalisation (functional)	0 %	In vivo hypoglycemic activity of the compound expressed as percent glucose normalization in db/db mice at 5 mg/Kg; Not tested	ChEMBL.	8831756
Glucose normalisation (functional)	0 %	In vivo hypoglycemic activity of the compound expressed as percent glucose normalization in db/db mice at 1 mg/Kg; Not tested	ChEMBL.	8831756
Glucose normalisation (functional)	= 74 %	In vivo hypoglycemic activity expressed as percent glucose normalization in db/db mice at 0.01 mg/Kg	ChEMBL.	8831756
Glucose normalisation (functional)	= 74 %	In vivo hypoglycemic activity expressed as percent glucose normalization in db/db mice at 0.01 mg/Kg	ChEMBL.	8831756
Glucose normalisation (functional)	= 100 %	In vivo hypoglycemic activity expressed as percent glucose normalization in db/db mice at 0.1 mg/Kg	ChEMBL.	8831756
Glucose normalisation (functional)	= 100 %	In vivo hypoglycemic activity of the compound expressed as percent glucose normalization in db/db mice at 0.05 mg/Kg	ChEMBL.	8831756
Glucose normalisation (functional)	= 100 %	In vivo hypoglycemic activity expressed as percent glucose normalization in db/db mice at 0.1 mg/Kg	ChEMBL.	8831756
Glucose normalisation (functional)	= 100 %	In vivo hypoglycemic activity of the compound expressed as percent glucose normalization in db/db mice at 0.05 mg/Kg	ChEMBL.	8831756

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

ChEMBL: CHEMBL127433
PubChem: 10671935

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 219204