TDR Targets

Basic information

Technical information

TDR Targets ID: 511190
Name: N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2- (2-methylphenoxy)acetamide
MW: 372.417 | Formula: C23H20N2O3
H donors: 1 H acceptors: 2 LogP: 5.03 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccc(cc1)c1nc2c(o1)ccc(c2)C)COc1ccccc1C
InChi: 1S/C23H20N2O3/c1-15-7-12-21-19(13-15)25-23(28-21)17-8-10-18(11-9-17)24-22(26)14-27-20-6-4-3-5-16(20)2/h3-13H,14H2,1-2H3,(H,24,26)
InChiKey: CQFNAXQXHFFSFB-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

N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)ethanamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	cholesteryl ester transfer protein, plasma	Starlite/ChEMBL	References

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
Echinococcus multilocularis	chromatin regulatory protein sir2	0.0131	0.5349	0.5298
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.002	0.0109	0.0109
Loa Loa (eye worm)	hypothetical protein	0.002	0.0109	0.0109
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0033	0.0741	0.1291
Schistosoma mansoni	chromatin regulatory protein sir2	0.0131	0.5349	0.9303
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.002	0.0109	0.0109
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.002	0.0109	0.0109
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0131	0.5349	0.9316
Brugia malayi	hypothetical protein	0.0023	0.0279	0.0279
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.002	0.0109	0.0109
Schistosoma mansoni	chromatin regulatory protein sir2	0.0033	0.0741	0.1122
Loa Loa (eye worm)	hypothetical protein	0.0107	0.4187	0.4187
Leishmania major	silent information regulator 2, putative	0.0131	0.5349	0.5857
Loa Loa (eye worm)	steroid hormone receptor	0.002	0.0109	0.0109
Schistosoma mansoni	survival motor neuron protein	0.0047	0.1392	0.2279
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.014	0.5741	1
Plasmodium vivax	NAD-dependent deacetylase, putative	0.0033	0.0741	0.5
Trypanosoma brucei	hypothetical protein, conserved	0.0207	0.8915	1
Onchocerca volvulus		0.0041	0.1092	0.7844
Trypanosoma cruzi	hypothetical protein, conserved	0.0207	0.8915	1
Leishmania major	NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe	0.0033	0.0741	0.0504
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.002	0.0109	0.0109
Loa Loa (eye worm)	hypothetical protein	0.002	0.0109	0.0109
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.002	0.0109	0.0109
Schistosoma mansoni	chromatin regulatory protein sir2	0.014	0.5741	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.002	0.0109	0.0783
Onchocerca volvulus		0.0041	0.1092	0.7844
Echinococcus granulosus	survival motor neuron protein 1	0.0231	1	1
Onchocerca volvulus		0.0041	0.1092	0.7844
Onchocerca volvulus		0.002	0.0109	0.0783
Brugia malayi	nuclear hormone receptor	0.002	0.0109	0.0109
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0279	0.0279
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.002	0.0109	0.0109
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0131	0.5349	0.9316
Schistosoma mansoni	chromatin regulatory protein sir2	0.0131	0.5349	0.9303
Loa Loa (eye worm)	hypothetical protein	0.002	0.0109	0.0109
Trypanosoma cruzi	Silent information regulator 2 related protein 3	0.0033	0.0741	0.0504
Onchocerca volvulus		0.0041	0.1092	0.7844
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.0023	0.0279	0.0279
Plasmodium vivax	hypothetical protein, conserved	0.0033	0.0741	0.5
Onchocerca volvulus		0.0041	0.1092	0.7844
Brugia malayi	NAD-dependent deacetylase SIRT1	0.014	0.5741	0.5741
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.014	0.5741	1
Loa Loa (eye worm)	LBP/BPI/CETP family domain-containing protein	0.0023	0.0279	0.0279
Schistosoma mansoni	hypothetical protein	0.0047	0.1392	0.2279
Trypanosoma cruzi	Silent information regulator 2 related protein 1	0.0131	0.5349	0.5857
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.002	0.0109	0.0109
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.4646	0.4646
Echinococcus multilocularis	NAD dependent deacetylase sirtuin 3	0.0131	0.5349	0.5298
Brugia malayi	ecdysteroid receptor	0.002	0.0109	0.0109
Toxoplasma gondii	histone deacetylase SIR2	0.0033	0.0741	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.002	0.0109	0.0109
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.002	0.0109	0.0109
Loa Loa (eye worm)	POT family protein	0.0084	0.3111	0.3111
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0033	0.0741	0.1291
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.002	0.0109	0.0109
Loa Loa (eye worm)	hypothetical protein	0.014	0.5741	0.5741
Loa Loa (eye worm)	hypothetical protein	0.002	0.0109	0.0109
Plasmodium falciparum	transcriptional regulatory protein sir2a	0.0033	0.0741	0.5
Loa Loa (eye worm)	hypothetical protein	0.002	0.0109	0.0109
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0033	0.0741	0.1291
Loa Loa (eye worm)	transcriptional regulator	0.0131	0.5349	0.5349
Loa Loa (eye worm)	sirtuin 4	0.0033	0.0741	0.0741
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0279	0.0279
Entamoeba histolytica	Sir2 family transcriptional regulator, putative	0.0131	0.5349	1
Echinococcus granulosus	NAD dependent deacetylase sirtuin 6	0.0033	0.0741	0.0639
Loa Loa (eye worm)	transcriptional regulator	0.0033	0.0741	0.0741
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.002	0.0109	0.0109
Trypanosoma brucei	Silent information regulator 2 related protein 1	0.0131	0.5349	0.5637
Brugia malayi	POT family protein	0.0084	0.3111	0.3111
Loa Loa (eye worm)	transcriptional regulator	0.0033	0.0741	0.0741
Echinococcus granulosus	NAD dependent deacetylase sirtuin 1	0.014	0.5741	0.5694
Brugia malayi	nuclear receptor NHR-88	0.002	0.0109	0.0109
Onchocerca volvulus		0.0041	0.1092	0.7844
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.0023	0.0279	0.0279
Brugia malayi	Nuclear hormone receptor-like 1	0.002	0.0109	0.0109
Schistosoma mansoni	chromatin regulatory protein sir2	0.0131	0.5349	0.9303
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.002	0.0109	0.0109
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1092	0.1092
Onchocerca volvulus		0.0041	0.1092	0.7844
Plasmodium falciparum	transcriptional regulatory protein sir2b	0.0033	0.0741	0.5
Echinococcus multilocularis	NAD dependent deacetylase sirtuin 7	0.0033	0.0741	0.0639
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.0023	0.0279	0.0279
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.002	0.0109	0.0109
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.002	0.0109	0.0109
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.002	0.0109	0.0109
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0279	0.0279
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.002	0.0109	0.0109
Onchocerca volvulus		0.0023	0.0279	0.2005
Leishmania major	sir2-family protein-like protein	0.0033	0.0741	0.0504
Mycobacterium tuberculosis	Transcriptional regulatory protein	0.0033	0.0741	1
Brugia malayi	MH2 domain containing protein	0.0116	0.4646	0.4646
Brugia malayi	Steroid receptor seven-up type 2	0.002	0.0109	0.0109
Brugia malayi	LBP / BPI / CETP family, N-terminal domain containing protein	0.0041	0.1092	0.1092
Loa Loa (eye worm)	hypothetical protein	0.002	0.0109	0.0109
Brugia malayi	transcriptional regulator, Sir2 family protein	0.0131	0.5349	0.5349
Loa Loa (eye worm)	hypothetical protein	0.0231	1	1
Toxoplasma gondii	histone deacetylase SIR2-like	0.0033	0.0741	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.002	0.0109	0.0109
Echinococcus granulosus	chromatin regulatory protein sir2	0.0131	0.5349	0.5298
Giardia lamblia	NAD-dependent histone deacetylase Sir2	0.014	0.5741	1
Brugia malayi	LBP / BPI / CETP family, N-terminal domain containing protein	0.0041	0.1092	0.1092
Trypanosoma cruzi	Silent information regulator 2 related protein 3	0.0033	0.0741	0.0504
Mycobacterium ulcerans	Sir2-like regulatory protein	0.0033	0.0741	1
Brugia malayi	transcriptional regulator, Sir2 family protein	0.0033	0.0741	0.0741
Onchocerca volvulus	Bile acid receptor homolog	0.002	0.0109	0.0783
Loa Loa (eye worm)	LBP/BPI/CETP family domain-containing protein	0.0041	0.1092	0.1092
Schistosoma mansoni	chromatin regulatory protein sir2	0.0033	0.0741	0.1122
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.014	0.5741	1
Onchocerca volvulus		0.0047	0.1392	1
Echinococcus granulosus	NAD dependent deacetylase sirtuin 7	0.0033	0.0741	0.0639
Trypanosoma cruzi	hypothetical protein, conserved	0.0207	0.8915	1
Schistosoma mansoni	chromatin regulatory protein sir2	0.0033	0.0741	0.1122
Onchocerca volvulus		0.0023	0.0279	0.2005
Onchocerca volvulus	Protein ultraspiracle homolog	0.002	0.0109	0.0783
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0033	0.0741	0.1291
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0279	0.0279
Mycobacterium ulcerans	NAD-dependent deacetylase	0.0033	0.0741	1
Echinococcus multilocularis	NAD dependent deacetylase sirtuin 1	0.014	0.5741	0.5694
Giardia lamblia	Hypothetical protein	0.0131	0.5349	0.9215
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.1392	0.1392
Onchocerca volvulus		0.0041	0.1092	0.7844
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.002	0.0109	0.0109
Trichomonas vaginalis	Citrate lyase beta chain, putative	0.0024	0.0307	0.0535
Echinococcus granulosus	citrate lyase subunit beta protein	0.0024	0.0307	0.02
Loa Loa (eye worm)	hypothetical protein	0.002	0.0109	0.0109
Brugia malayi	photoreceptor-specific nuclear receptor	0.002	0.0109	0.0109
Echinococcus granulosus	NAD dependent deacetylase sirtuin 3	0.0131	0.5349	0.5298
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0033	0.0741	0.1291
Loa Loa (eye worm)	hypothetical protein	0.002	0.0109	0.0109
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0279	0.0279
Loa Loa (eye worm)	LBP/BPI/CETP family domain-containing protein	0.0023	0.0279	0.0279
Leishmania major	hypothetical protein, conserved	0.0207	0.8915	1
Brugia malayi	transcriptional regulator, Sir2 family protein	0.0033	0.0741	0.0741
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.002	0.0109	0.0109
Echinococcus multilocularis	citrate lyase subunit beta protein	0.0024	0.0307	0.02
Brugia malayi	hypothetical protein	0.0023	0.0279	0.0279
Trypanosoma cruzi	Silent information regulator 2 related protein 1	0.0131	0.5349	0.5857
Echinococcus multilocularis	survival motor neuron protein 1	0.0231	1	1
Entamoeba histolytica	Sir2 family transcriptional regulator, putative	0.0131	0.5349	1
Echinococcus multilocularis	NAD dependent deacetylase sirtuin 6	0.0033	0.0741	0.0639
Brugia malayi	steroid hormone receptor	0.002	0.0109	0.0109
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.014	0.5741	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.4646	0.4646
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.0041	0.1092	0.1092

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1.1 uM	Inhibition of human CETP by scintillation proximity assay	ChEMBL.	18374566
IC50 (binding)	= 1.1 uM	Inhibition of human CETP by scintillation proximity assay	ChEMBL.	18374566
IC50 (binding)	= 31 uM	Inhibition of CETP in human whole plasma	ChEMBL.	18374566
IC50 (binding)	= 31 uM	Inhibition of CETP in human whole plasma	ChEMBL.	18374566

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: CHEMBL260011
PubChem: 24738526

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 511190