TDR Targets

Basic information

Technical information

TDR Targets ID: 1619155
Name: 3-phenyl-5-(3-phenyl-1,2-oxazol-5-yl)-1,2-oxa zole
MW: 288.3 | Formula: C18H12N2O2
H donors: 0 H acceptors: 2 LogP: 3.84 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: c1ccc(cc1)c1noc(c1)c1onc(c1)c1ccccc1
InChi: 1S/C18H12N2O2/c1-3-7-13(8-4-1)15-11-17(21-19-15)18-12-16(20-22-18)14-9-5-2-6-10-14/h1-12H
InChiKey: AQFFLALJEYAWJG-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-phenyl-5-(3-phenylisoxazol-5-yl)isoxazole
3-phenyl-5-(3-phenyl-5-isoxazolyl)isoxazole
NSC720408
NCI60_041241

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	0.0022	0.0102	0.034
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0058	0.2118	0.7043
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0022	0.0102	0.034
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0395	0.1008
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0028	0.0395	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0102	0.034
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0102	0.034
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0102	0.034
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0102	0.034
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0102	0.034
Loa Loa (eye worm)	TYRA-2 protein	0.0022	0.0102	0.034
Echinococcus granulosus	tar DNA binding protein	0.0074	0.3007	0.2935
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0028	0.0395	0.5
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0102	0.034
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.3007	0.2935
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0053	0.1847	0.1763
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0028	0.0395	0.5
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0102	0.034
Brugia malayi	latrophilin 2 splice variant baaae	0.004	0.1078	0.336
Loa Loa (eye worm)	G-protein coupled receptor	0.0022	0.0102	0.034
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0022	0.0102	0.034
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0395	0.1008
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0102	0.034
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0102	0.034
Loa Loa (eye worm)	hypothetical protein	0.004	0.1078	0.3586
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0102	0.034
Schistosoma mansoni	transcription factor LCR-F1	0.0042	0.1204	0.1113
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0102	0.034
Entamoeba histolytica	hypothetical protein	0.0042	0.1204	1
Brugia malayi	RNA binding protein	0.0074	0.3007	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0028	0.0395	1
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0022	0.0102	0.034
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0395	1
Brugia malayi	RNA recognition motif domain containing protein	0.0074	0.3007	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0395	0.1313
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0102	0.034
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0395	0.1313
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0058	0.2118	0.6939
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0102	0.034
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0102	0.034
Leishmania major	4-coumarate:coa ligase-like protein	0.0028	0.0395	0.5
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0102	0.034
Loa Loa (eye worm)	TAR-binding protein	0.0074	0.3007	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.1847	0.1763
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.3007	0.2935
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0053	0.1847	0.1763
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0053	0.1847	0.6006
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0028	0.0395	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0102	0.034
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0102	0.034
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0102	0.034
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.3007	0.2935
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0102	0.034
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0395	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0395	1
Loa Loa (eye worm)	hypothetical protein	0.0058	0.2118	0.7043
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0102	0.034
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0053	0.1847	0.1763
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0102	0.034
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.1847	0.1763
Mycobacterium ulcerans	hypothetical protein	0.0028	0.0395	1
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0022	0.0102	0.034
Schistosoma mansoni	hypothetical protein	0.0042	0.1204	0.1113
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0102	0.034
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0102	0.034
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0102	0.034
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0022	0.0102	0.034
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0053	0.1847	0.1763
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0102	0.034
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0053	0.1847	0.6142
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0102	0.034
Loa Loa (eye worm)	RNA binding protein	0.0074	0.3007	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0102	0.034
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0028	0.0395	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0102	0.034
Entamoeba histolytica	hypothetical protein	0.0042	0.1204	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0102	0.034
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0102	0.034
Entamoeba histolytica	hypothetical protein	0.0042	0.1204	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0102	0.034
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0102	0.034
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0102	0.034
Leishmania major	4-coumarate:coa ligase-like protein	0.0028	0.0395	0.5
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0102	0.034
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0102	0.034
Brugia malayi	hypothetical protein	0.0042	0.1204	0.3791
Brugia malayi	TAR-binding protein	0.0074	0.3007	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0102	0.034
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0102	0.034
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0102	0.034
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0102	0.034
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0028	0.0395	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0042	0.1204	0.1113
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0102	0.034
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0102	0.034
Loa Loa (eye worm)	melatonin receptor type 1A	0.0022	0.0102	0.034
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0102	0.034
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0074	0.3007	1
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.3007	0.2935
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0102	0.034
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0042	0.1204	0.1113
Entamoeba histolytica	hypothetical protein	0.0042	0.1204	1
Echinococcus multilocularis	tar DNA binding protein	0.0074	0.3007	0.2935
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0028	0.0395	1
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0395	0.1008
Loa Loa (eye worm)	neuropeptide F receptor	0.0022	0.0102	0.034
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.1847	0.1763
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.3007	0.2935
Schistosoma mansoni	hypothetical protein	0.004	0.1078	0.0986
Loa Loa (eye worm)	G-protein coupled receptor	0.0022	0.0102	0.034
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0102	0.034
Onchocerca volvulus		0.0028	0.0395	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0058	0.2118	0.6939
Loa Loa (eye worm)	neuropeptide F receptor	0.0022	0.0102	0.034
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0395	0.1313
Leishmania major	4-coumarate:coa ligase-like protein	0.0028	0.0395	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-4.822	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.61	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.533	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.372	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.309	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory)	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: CHEMBL1973774

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 1619155