TDR Targets

Basic information

Technical information

TDR Targets ID: 1444313
Name: 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]- N-[4-(trifluoromethyl)phenyl]propanamide
MW: 391.344 | Formula: C19H16F3N3O3
H donors: 1 H acceptors: 3 LogP: 3.76 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)c1noc(n1)CCC(=O)Nc1ccc(cc1)C(F)(F)F
InChi: 1S/C19H16F3N3O3/c1-27-15-8-2-12(3-9-15)18-24-17(28-25-18)11-10-16(26)23-14-6-4-13(5-7-14)19(20,21)22/h2-9H,10-11H2,1H3,(H,23,26)
InChiKey: IYNMYGRSSOWYHJ-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

3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(trifluoromethyl)phenyl]propionamide
C320-0028
NCGC00107797-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	tumor protein p53	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references
Homo sapiens	microtubule-associated protein tau	Starlite/ChEMBL	No references
Homo sapiens	survival of motor neuron 2, centromeric	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Echinococcus multilocularis	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Schistosoma mansoni	microtubule-associated protein tau	Get druggable targets OG5_133504	All targets in OG5_133504
Echinococcus granulosus	tumor protein p63	Get druggable targets OG5_140038	All targets in OG5_140038
Brugia malayi	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Schistosoma japonicum	ko:K04380 microtubule-associated protein tau, putative	Get druggable targets OG5_133504	All targets in OG5_133504
Echinococcus granulosus	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Echinococcus multilocularis	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Echinococcus multilocularis	tumor protein p63	Get druggable targets OG5_140038	All targets in OG5_140038

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
Schistosoma mansoni	proteasome subunit beta 3 (T01 family)	0.007	0.0155	0.0137
Onchocerca volvulus		0.006	0.0018	0.1172
Brugia malayi	hypothetical protein	0.0286	0.2932	0.3763
Toxoplasma gondii	proteasome subunit beta type 2, putative	0.0122	0.0822	0.0903
Entamoeba histolytica	proteasome subunit beta type 5 precursor, putative	0.0642	0.7534	1
Echinococcus multilocularis	adhesion regulating molecule 1	0.0092	0.0433	0.0282
Mycobacterium tuberculosis	Proteasome beta subunit PrcB; assembles with alpha subunit PrcA.	0.0642	0.7534	1
Schistosoma mansoni	proteasome subunit beta 3 (T01 family)	0.007	0.0155	0.0137
Brugia malayi	Proteasome A-type and B-type family protein	0.0642	0.7534	1
Entamoeba histolytica	proteasome subunit beta type 1, putative	0.0176	0.1513	0.184
Giardia lamblia	Proteasome subunit beta type 2	0.0122	0.0822	0.0903
Plasmodium vivax	proteasome subunit beta type-1, putative	0.0176	0.1513	0.184
Plasmodium vivax	proteasome subunit beta type-5, putative	0.0642	0.7534	1
Schistosoma mansoni	proteasome subunit beta 2 (T01 family)	0.0122	0.0822	0.0805
Schistosoma mansoni	proteasome catalytic subunit 3 (T01 family)	0.0642	0.7534	0.753
Echinococcus granulosus	proteasome prosome macropain subunit beta	0.0122	0.0822	0.0677
Trypanosoma cruzi	proteasome subunit beta type-2, putative	0.0122	0.0822	0.0903
Schistosoma mansoni	subfamily T1A non-peptidase homologue (T01 family)	0.007	0.0155	0.0137
Schistosoma mansoni	adhesion regulating molecule 1 (110 kD cell membrane glycoprotein)	0.0092	0.0433	0.0415
Mycobacterium ulcerans	proteasome PrcB	0.0642	0.7534	1
Brugia malayi	proteasome subunit beta type 1	0.0176	0.1513	0.184
Schistosoma mansoni	microtubule-associated protein tau	0.0833	1	1
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.007	0.0155	0.0183
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.007	0.0155	0.0183
Plasmodium vivax	proteasome subunit beta type-2, putative	0.0122	0.0822	0.0903
Wolbachia endosymbiont of Brugia malayi	ATP-dependent protease peptidase subunit	0.007	0.0155	0.5
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0433	0.0551
Loa Loa (eye worm)	proteasome subunit beta type 2	0.0122	0.0822	0.1069
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0122	0.0822	0.0903
Trypanosoma brucei	proteasome subunit beta type-2, putative	0.0122	0.0822	0.0903
Giardia lamblia	Proteasome subunit beta type 5 precursor	0.0642	0.7534	1
Trypanosoma cruzi	proteasome beta 6 subunit, putative	0.0176	0.1513	0.184
Schistosoma mansoni	proteasome catalytic subunit 2 (T01 family)	0.007	0.0155	0.0137
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0176	0.1513	0.184
Echinococcus granulosus	proteasome prosome macropain subunit beta	0.0176	0.1513	0.1379
Schistosoma mansoni	proteasome subunit alpha 1 (T01 family)	0.007	0.0155	0.0137
Onchocerca volvulus	Notchless protein homolog	0.007	0.0155	1
Loa Loa (eye worm)	hypothetical protein	0.0286	0.2932	0.3877
Schistosoma mansoni	proteasome catalytic subunit 1 (T01 family)	0.007	0.0155	0.0137
Schistosoma mansoni	proteasome subunit beta 2 (T01 family)	0.007	0.0155	0.0137
Giardia lamblia	Proteasome subunit beta type 1	0.0176	0.1513	0.184
Entamoeba histolytica	probable proteasome subunit beta type 2, putative	0.0122	0.0822	0.0903
Trypanosoma brucei	proteasome subunit beta type-5, putative	0.0642	0.7534	1
Loa Loa (eye worm)	proteasome subunit alpha type 6	0.007	0.0155	0.0183
Toxoplasma gondii	adhesion regulating molecule region protein, putative	0.0092	0.0433	0.0376
Echinococcus granulosus	survival motor neuron protein 1	0.0286	0.2932	0.2821
Brugia malayi	Adhesion regulating molecule conserved region family protein	0.0092	0.0433	0.0376
Leishmania major	proteasome beta 5 subunit, putative	0.0642	0.7534	1
Leishmania major	proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative	0.0176	0.1513	0.184
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.007	0.0155	0.0183
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0122	0.0822	0.0903
Schistosoma mansoni	subfamily T1A non-peptidase homologue (T01 family)	0.007	0.0155	0.0137
Loa Loa (eye worm)	proteasome subunit alpha type 1	0.007	0.0155	0.0183
Echinococcus multilocularis	microtubule associated protein 2	0.0833	1	1
Loa Loa (eye worm)	proteasome subunit alpha type 2	0.007	0.0155	0.0183
Schistosoma mansoni	proteasome subunit beta 4 (T01 family)	0.007	0.0155	0.0137
Leishmania major	proteasome beta 2 subunit, putative	0.0122	0.0822	0.0903
Echinococcus granulosus	adhesion regulating molecule 1	0.0092	0.0433	0.0282
Toxoplasma gondii	proteasome subunit beta type 1, putative	0.0176	0.1513	0.184
Loa Loa (eye worm)	proteasome subunit alpha type 7-1	0.007	0.0155	0.0183
Loa Loa (eye worm)	proteasome subunit beta type 3	0.007	0.0155	0.0183
Echinococcus granulosus	proteasome prosome macropain	0.0642	0.7534	0.7495
Toxoplasma gondii	proteasome subunit beta type, putative	0.0642	0.7534	1
Plasmodium falciparum	proteasome subunit beta type-2, putative	0.0122	0.0822	0.0903
Plasmodium falciparum	proteasome subunit beta type-5	0.0642	0.7534	1
Echinococcus multilocularis	survival motor neuron protein 1	0.0286	0.2932	0.2821
Schistosoma mansoni	proteasome subunit alpha 3 (T01 family)	0.007	0.0155	0.0137
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0642	0.7534	1
Loa Loa (eye worm)	20S proteasome alpha5 subunit	0.007	0.0155	0.0183
Schistosoma mansoni	proteasome subunit alpha 2 (T01 family)	0.007	0.0155	0.0137
Brugia malayi	proteasome subunit beta type 2	0.0122	0.0822	0.0903
Trypanosoma cruzi	20S proteasome subunit	0.0122	0.0822	0.0903
Trypanosoma brucei	proteasome beta 6 subunit	0.0176	0.1513	0.184
Plasmodium falciparum	proteasome subunit beta type-1, putative	0.0176	0.1513	0.184
Echinococcus multilocularis	tumor protein p63	0.0408	0.4512	0.4426
Schistosoma mansoni	proteasome subunit beta 1 (T01 family)	0.0176	0.1513	0.1497
Schistosoma mansoni	proteasome subunit alpha 7 (T01 family)	0.007	0.0155	0.0137
Loa Loa (eye worm)	PAS-3 protein	0.007	0.0155	0.0183
Trypanosoma cruzi	proteasome beta 6 subunit, putative	0.0176	0.1513	0.184
Schistosoma mansoni	proteasome subunit alpha 4 (T01 family)	0.007	0.0155	0.0137
Loa Loa (eye worm)	proteasome subunit alpha type 3	0.007	0.0155	0.0183
Schistosoma mansoni	subfamily T1A non-peptidase homologue (T01 family)	0.007	0.0155	0.0137
Echinococcus multilocularis	proteasome (prosome, macropain)	0.0642	0.7534	0.7495
Schistosoma mansoni	proteasome subunit beta 2 (T01 family)	0.0122	0.0822	0.0805
Schistosoma mansoni	proteasome subunit alpha 6 (T01 family)	0.007	0.0155	0.0137
Trypanosoma cruzi	proteasome subunit beta type-5, putative	0.0642	0.7534	1
Loa Loa (eye worm)	proteasome subunit beta type 1	0.0176	0.1513	0.1988
Echinococcus granulosus	tumor protein p63	0.0408	0.4512	0.4426
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.0642	0.7534	1
Echinococcus multilocularis	proteasome (prosome, macropain) subunit, beta	0.0176	0.1513	0.1379
Mycobacterium leprae	proteasome (beta subunit) PrcB	0.0642	0.7534	1
Trypanosoma cruzi	proteasome subunit beta type-5, putative	0.0642	0.7534	1
Echinococcus multilocularis	proteasome (prosome, macropain) subunit, beta	0.0122	0.0822	0.0677

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.2239 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (binding)	= 7.0795 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	= 11.2202 um	PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 14.1254 um	PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.3564 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	22.3872 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))]	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference

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: CHEMBL1595176

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1444313