TDR Targets

Basic information

Technical information

TDR Targets ID: 1402615
Name: 4-[4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]phen yl]benzonitrile
MW: 294.305 | Formula: C17H14N2O3
H donors: 1 H acceptors: 2 LogP: 2.8 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1ccc(cc1)c1ccc(cc1)OCC1CNC(=O)O1
InChi: 1S/C17H14N2O3/c18-9-12-1-3-13(4-2-12)14-5-7-15(8-6-14)21-11-16-10-19-17(20)22-16/h1-8,16H,10-11H2,(H,19,20)
InChiKey: JUTGEQSSNQKFHI-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

4-[4-[(2-oxooxazolidin-5-yl)methoxy]phenyl]benzonitrile
4-[4-[(2-oxo-5-oxazolidinyl)methoxy]phenyl]benzonitrile
4-[4-[(2-ketooxazolidin-5-yl)methoxy]phenyl]benzonitrile
STOCK3S-48608
4'-(2-Oxo-oxazolidin-5-ylmethoxy)-biphenyl-4-carbonitrile
BAS 01811941
Oprea1_244876
MLS001208475
SMR000517002

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	multiple endocrine neoplasia I		No references
Homo sapiens	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references
Homo sapiens	lysine (K)-specific methyltransferase 2A	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Neospora caninum	Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_133913	All targets in OG5_133913
Schistosoma japonicum	Menin, putative	Get druggable targets OG5_133913	All targets in OG5_133913
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225
Schistosoma japonicum	ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma mansoni	mixed-lineage leukemia protein mll	Get druggable targets OG5_130642	All targets in OG5_130642
Echinococcus granulosus	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
Toxoplasma gondii	histone lysine methyltransferase SET1	Get druggable targets OG5_130642	All targets in OG5_130642
Echinococcus multilocularis	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0235	0.2361	0.7498
Schistosoma mansoni	family M13 non-peptidase homologue (M13 family)	0.0157	0.1558	0.3104
Toxoplasma gondii	peptidase family M13 protein	0.0311	0.3137	1
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.003	0.5
Leishmania major	serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10	0.0108	0.1058	1
Schistosoma mansoni	cpg binding protein	0.0037	0.0325	0.0648
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.003	0.5
Loa Loa (eye worm)	CYP4Cod1	0.0029	0.0244	0.0676
Loa Loa (eye worm)	hypothetical protein	0.0235	0.2361	0.7498
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0009	0.0037	0.0074
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.003	0.5
Loa Loa (eye worm)	hypothetical protein	0.002	0.0159	0.0403
Loa Loa (eye worm)	hypothetical protein	0.023	0.2305	0.7319
Echinococcus granulosus	family S10 non peptidase ue S10 family	0.0097	0.0948	0.1835
Loa Loa (eye worm)	hypothetical protein	0.0235	0.2361	0.7498
Mycobacterium leprae	probable zinc metalloprotease	0.0311	0.3137	1
Schistosoma mansoni	hypothetical protein	0.0019	0.0144	0.0288
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.003	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.003	0.5
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0009	0.0037	0.0007
Brugia malayi	Peptidase family M13 containing protein	0.0311	0.3137	1
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0076	0.0726	0.1446
Brugia malayi	Hypothetical zinc metalloproteinase T16A9.4	0.0311	0.3137	1
Schistosoma mansoni	hypothetical protein	0.0494	0.5019	1
Trypanosoma cruzi	serine peptidase, Clan SC, Family S10, putative	0.0108	0.1058	1
Echinococcus granulosus	dnaJ subfamily B	0.0494	0.5019	1
Loa Loa (eye worm)	hypothetical protein	0.023	0.2305	0.7319
Brugia malayi	Cytochrome P450 family protein	0.0029	0.0244	0.0676
Onchocerca volvulus	Uncharacterized serine carboxypeptidase homolog	0.0108	0.1058	0.6154
Schistosoma mansoni	Nep2 peptidase (M13 family)	0.0157	0.1558	0.3104
Brugia malayi	Cytochrome P450 family protein	0.0029	0.0244	0.0676
Schistosoma mansoni	hypothetical protein	0.0081	0.0781	0.1556
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0144	0.0357
Loa Loa (eye worm)	zinc metallopeptidase 4	0.0076	0.0726	0.2229
Loa Loa (eye worm)	cytochrome P450 family protein	0.0029	0.0244	0.0676
Loa Loa (eye worm)	hypothetical protein	0.0311	0.3137	1
Trypanosoma cruzi	serine carboxypeptidase (CBP1), putative	0.0108	0.1058	1
Schistosoma mansoni	family S10 unassigned peptidase (S10 family)	0.0108	0.1058	0.2108
Schistosoma mansoni	hypothetical protein	0.0041	0.0371	0.074
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0144	0.0357
Trypanosoma brucei	serine peptidase, Clan SC, Family S10	0.0108	0.1058	1
Schistosoma mansoni	cpg binding protein	0.0035	0.0305	0.0608
Schistosoma mansoni	neprilysin-2 (M13 family)	0.0157	0.1558	0.3104
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0009	0.0037	0.0004
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0037	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0154	0.1529	0.4816
Schistosoma mansoni	cytochrome P450	0.0008	0.0034	0.0067
Schistosoma mansoni	hypothetical protein	0.0019	0.0144	0.0288
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.003	0.5
Schistosoma mansoni	hypothetical protein	0.0008	0.0034	0.0067
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.0623	0.19
Schistosoma mansoni	cpg binding protein	0.0037	0.0325	0.0648
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0081	0.0781	0.1556
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0076	0.0726	0.1446
Schistosoma mansoni	endothelin-converting enzyme-like 1 (damage-induced neuronal endopeptidase)	0.0076	0.0726	0.1446
Schistosoma mansoni	family M13 non-peptidase homologue (M13 family)	0.0076	0.0726	0.1446
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.003	0.5
Loa Loa (eye worm)	hypothetical protein	0.0311	0.3137	1
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.003	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.003	0.5
Brugia malayi	Serine carboxypeptidase F41C3.5 precursor	0.0108	0.1058	0.33
Loa Loa (eye worm)	hypothetical protein	0.0235	0.2361	0.7498
Loa Loa (eye worm)	hypothetical protein	0.023	0.2305	0.7319
Schistosoma mansoni	family S10 non-peptidase homologue (S10 family)	0.0108	0.1058	0.2108
Schistosoma mansoni	endothelin-converting enzyme-related	0.0076	0.0726	0.1446
Echinococcus multilocularis	dnaJ subfamily B	0.0494	0.5019	0.5002
Schistosoma mansoni	hypothetical protein	0.0081	0.0781	0.1556
Trypanosoma cruzi	serine peptidase, Clan SC, Family S10, putative	0.0108	0.1058	1
Loa Loa (eye worm)	hypothetical protein	0.0235	0.2361	0.7498
Trypanosoma brucei	serine peptidase, Clan SC, Family S10	0.0108	0.1058	1
Loa Loa (eye worm)	peptidase family M13 containing protein	0.023	0.2305	0.7319
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.0704	0.1403
Brugia malayi	peptidase family M13 containing protein	0.0076	0.0726	0.2229
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0029	0.0244	0.0676
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0144	0.0222
Echinococcus granulosus	cpg binding protein	0.0037	0.0325	0.0585
Echinococcus multilocularis	lysosomal protective protein	0.0108	0.1058	0.1028
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0567	0.1718
Schistosoma mansoni	hypothetical protein	0.0081	0.0781	0.1556
Loa Loa (eye worm)	hypothetical protein	0.006	0.0567	0.1718
Trypanosoma cruzi	serine carboxypeptidase (CBP1), putative	0.0108	0.1058	1
Trichomonas vaginalis	helicase, putative	0.0008	0.003	0.5
Schistosoma mansoni	hypothetical protein	0.0019	0.0144	0.0288
Onchocerca volvulus		0.0154	0.1529	1
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.0305	0.0874
Schistosoma mansoni	hypothetical protein	0.0081	0.0781	0.1556
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0144	0.0357
Loa Loa (eye worm)	hypothetical protein	0.0311	0.3137	1
Loa Loa (eye worm)	hypothetical protein	0.0235	0.2361	0.7498
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0144	0.0357
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0157	0.1558	0.3104
Schistosoma mansoni	hypothetical protein	0.0019	0.0144	0.0288
Schistosoma mansoni	lysosomal protective protein precursor (cathepsin A) (carboxypeptidase	0.0011	0.0059	0.0117
Echinococcus multilocularis	family S10 non peptidase ue (S10 family)	0.0097	0.0948	0.0918
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0311	0.3137	0.6251
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.003	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0567	0.1718
Schistosoma mansoni	hypothetical protein	0.0081	0.0781	0.1556
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0371	0.1088
Echinococcus granulosus	GPCR family 2	0.0019	0.0144	0.0222
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.003	0.5
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.003	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0567	0.1718
Echinococcus granulosus	lysosomal protective protein	0.0108	0.1058	0.2054
Trypanosoma cruzi	cytochrome P450, putative	0.0029	0.0244	0.2049
Schistosoma mansoni	hypothetical protein	0.0081	0.0781	0.1556
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0371	0.1088
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0059	0.0025
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0076	0.0726	0.1446
Loa Loa (eye worm)	cytochrome P450 family protein	0.0029	0.0244	0.0676
Leishmania major	cytochrome p450-like protein	0.0029	0.0244	0.2049
Mycobacterium ulcerans	zinc metalloprotease	0.0311	0.3137	1
Brugia malayi	CXXC zinc finger family protein	0.0035	0.0305	0.0874
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0144	0.0111
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.003	0.5
Mycobacterium tuberculosis	Probable zinc metalloprotease Zmp1	0.0311	0.3137	1
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0144	0.0111
Loa Loa (eye worm)	peptidase family M13 containing protein	0.023	0.2305	0.7319
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0157	0.1558	0.3104
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0059	0.0051
Trypanosoma brucei	serine peptidase, Clan SC, Family S10	0.0108	0.1058	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0144	0.0111
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.003	0.5
Echinococcus multilocularis	endothelin converting enzyme 1	0.0311	0.3137	0.3114
Trypanosoma cruzi	cytochrome P450, putative	0.0029	0.0244	0.2049
Loa Loa (eye worm)	histone methyltransferase	0.0011	0.0059	0.0082
Echinococcus multilocularis	cpg binding protein	0.0037	0.0325	0.0292
Loa Loa (eye worm)	hypothetical protein	0.023	0.2305	0.7319
Schistosoma mansoni	neprilysin	0.0081	0.0781	0.1556
Trypanosoma brucei	cytochrome P450, putative	0.0029	0.0244	0.2049
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.003	0.5
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1058	0.33
Brugia malayi	F/Y-rich N-terminus family protein	0.0011	0.0058	0.0077
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.003	0.5
Echinococcus granulosus	endothelin converting enzyme 1	0.0311	0.3137	0.6226
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.003	0.5
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0144	0.0222
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0037	0.0004

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 11.287 um	PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Activators of 5'UTR Stem-Loop Driven Prion Protein mRNA Translation in H4 Neuroglioblastoma Cells. (Class of assay: confirmatory) [Related pubchem assays: 1829 (Project Summary), 1814 (Primary HTS)]	ChEMBL.	No reference
Potency (functional)	3.9811 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 5.6234 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	6.5104 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	14.7157 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	18.3489 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143]	ChEMBL.	No reference
Potency (functional)	26.8545 uM	PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411]	ChEMBL.	No reference
Potency (functional)	29.0929 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)	31.6228 uM	PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	ChEMBL.	No reference
Potency (binding)	39.8107 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	= 50.1187 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: Inhibitors of TCP-1 ring complex (TRiC) of Methanococcus maripaludis (MmCpn): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488991]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23
Homo sapiens	ChEMBL23

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: CHEMBL1561777

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1402615