TDR Targets

Basic information

Technical information

TDR Targets ID: 339003
Name: N-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-pyri din-3-ylphenyl)-1,3-oxazol-2-amine
MW: 435.496 | Formula: C23H21N3O4S
H donors: 1 H acceptors: 4 LogP: 4.01 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1Nc1ncc(o1)c1cccc(c1)c1cccnc1)S(=O)(=O)CC
InChi: 1S/C23H21N3O4S/c1-3-31(27,28)19-9-10-21(29-2)20(13-19)26-23-25-15-22(30-23)17-7-4-6-16(12-17)18-8-5-11-24-14-18/h4-15H,3H2,1-2H3,(H,25,26)
InChiKey: BKGWUUYFDIOKHW-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-(5-ethylsulfonyl-2-methoxy-phenyl)-5-[3-(3-pyridyl)phenyl]oxazol-2-amine
N-(5-ethylsulfonyl-2-methoxyphenyl)-5-[3-(3-pyridyl)phenyl]-2-oxazolamine
N-(5-ethylsulfonyl-2-methoxy-phenyl)-5-(3-pyridin-3-ylphenyl)-1,3-oxazol-2-amine
(5-esyl-2-methoxy-phenyl)-[5-[3-(3-pyridyl)phenyl]oxazol-2-yl]amine
(5-ethylsulfonyl-2-methoxy-phenyl)-[5-[3-(3-pyridyl)phenyl]oxazol-2-yl]amine
2-Anilino-5-aryloxazole 40

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	fms-related tyrosine kinase 4	Starlite/ChEMBL	References
Homo sapiens	fms-related tyrosine kinase 1		References
Homo sapiens	kinase insert domain receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	Immunoglobulin I-set domain containing protein	Get druggable targets OG5_130320	All targets in OG5_130320
Loa Loa (eye worm)	TK/KIN16 protein kinase	Get druggable targets OG5_130320	All targets in OG5_130320
Onchocerca volvulus	Tyrosine kinase homolog	Get druggable targets OG5_130320	All targets in OG5_130320
Onchocerca volvulus		Get druggable targets OG5_130320	All targets in OG5_130320

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)	brahma associated protein	0.0234	0.0565	0.3485
Echinococcus granulosus	SWI:SNF matrix associated	0.0234	0.0565	0.0959
Brugia malayi	brahma associated protein 60 kDa	0.0234	0.0565	0.0565
Toxoplasma gondii	ran binding protein	0.0083	0.0157	0.0148
Brugia malayi	YY1-associated factor 2	0.0083	0.0157	0.0157
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0157	0.0968
Leishmania major	hypothetical protein, conserved	0.0083	0.0157	0.0148
Mycobacterium ulcerans	dihydroorotate dehydrogenase 2	0.3719	1	1
Wolbachia endosymbiont of Brugia malayi	dihydroorotate dehydrogenase 2	0.3719	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0157	0.0968
Trypanosoma brucei	hypothetical protein, conserved	0.0083	0.0157	0.0148
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0083	0.0157	0.0148
Echinococcus granulosus	neuroglian	0.0035	0.0028	0.0046
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.1452	0.3863	0.6562
Schistosoma mansoni	aldehyde dehydrogenase	0.0069	0.0118	0.0118
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0234	0.0565	0.0556
Mycobacterium leprae	Probable dihydroorotate dehydrogenase PyrD	0.3719	1	0.5
Echinococcus multilocularis	tumor protein p63	0.22	0.5887	1
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.0234	0.0565	0.3485
Chlamydia trachomatis	SWIB complex protein	0.0234	0.0565	0.5
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0083	0.0157	0.0157
Trypanosoma cruzi	hypothetical protein, conserved	0.0083	0.0157	0.0148
Echinococcus granulosus	zinc finger protein Ran binding	0.0083	0.0157	0.0266
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0035	0.0214
Schistosoma mansoni	brg-1 associated factor	0.0234	0.0565	0.0565
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.1452	0.3863	1
Echinococcus granulosus	twitchin	0.0035	0.0028	0.0046
Onchocerca volvulus		0.0583	0.1511	0.9759
Trypanosoma brucei	dihydroorotate dehydrogenase (fumarate)	0.3719	1	1
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.0234	0.0565	0.0556
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.1452	0.3863	1
Schistosoma mansoni	cellular tumor antigen P53	0.0322	0.0804	0.0804
Toxoplasma gondii	dihydroorotate dehydrogenase reveal, putative	0.3719	1	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0069	0.0118	0.0109
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.0083	0.0157	0.0148
Brugia malayi	Zinc finger, C2H2 type family protein	0.1452	0.3863	0.3863
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.1452	0.3863	0.6562
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.1452	0.3863	0.6562
Leishmania major	hypothetical protein, conserved	0.0083	0.0157	0.0148
Trypanosoma cruzi	hypothetical protein, conserved	0.0083	0.0157	0.0148
Onchocerca volvulus	Tyrosine kinase homolog	0.0596	0.1544	1
Echinococcus multilocularis	ring and YY1 binding protein	0.0083	0.0157	0.0266
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0069	0.0118	0.02
Leishmania major	hypothetical protein, conserved	0.0083	0.0157	0.0148
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.0234	0.0565	0.0556
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0083	0.0157	0.0266
Echinococcus granulosus	tumor protein p63	0.22	0.5887	1
Schistosoma mansoni	hypothetical protein	0.0083	0.0157	0.0157
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0234	0.0565	0.0556
Schistosoma mansoni	dihydroorotate dehydrogenase	0.3719	1	1
Mycobacterium tuberculosis	Probable dihydroorotate dehydrogenase PyrD	0.3719	1	1
Trypanosoma cruzi	dihydroorotate dehydrogenase (fumarate), putative	0.3719	1	1
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0157	0.0968
Echinococcus multilocularis	SWI:SNF matrix associated	0.0234	0.0565	0.0959
Trypanosoma brucei	hypothetical protein, conserved	0.0083	0.0157	0.0148
Plasmodium falciparum	zinc finger Ran-binding domain-containing protein 2, putative	0.0083	0.0157	0.0148
Brugia malayi	brahma associated protein 60 kDa	0.0234	0.0565	0.0565
Echinococcus multilocularis	SWI:SNF matrix associated	0.0234	0.0565	0.0959
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.1452	0.3863	0.3858
Brugia malayi	SWIB/MDM2 domain containing protein	0.0234	0.0565	0.0565
Entamoeba histolytica	dihydropyrimidine dehydrogenase, putative	0.1452	0.3863	0.5
Trypanosoma cruzi	WLM domain containing protein, putative	0.0083	0.0157	0.0148
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.3719	1	1
Trichomonas vaginalis	dihydropyrimidine dehydrogenase, putative	0.1452	0.3863	1
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0083	0.0157	0.0157
Plasmodium falciparum	dihydroorotate dehydrogenase	0.3719	1	1
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.1452	0.3863	0.6562
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0038	0.0035	0.0059
Brugia malayi	hypothetical protein	0.0029	0.0009	0.0009
Leishmania major	dihydroorotate dehydrogenase	0.3719	1	1
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0083	0.0157	0.0148
Schistosoma mansoni	RNA binding protein	0.0083	0.0157	0.0157
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.1452	0.3863	1
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0234	0.0565	0.0556
Plasmodium vivax	hypothetical protein, conserved	0.0234	0.0565	0.0556
Chlamydia trachomatis	DNA topoisomerase I	0.0234	0.0565	0.5
Schistosoma mansoni	hypothetical protein	0.0234	0.0565	0.0565
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.0234	0.0565	0.0959
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0069	0.0118	0.0109
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0083	0.0157	0.0148
Schistosoma mansoni	cell adhesion molecule	0.0038	0.0035	0.0035
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0083	0.0157	0.0157
Echinococcus granulosus	roundabout 2	0.0048	0.0062	0.0105
Loa Loa (eye worm)	hypothetical protein	0.0322	0.0804	0.4958
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0062	0.0382
Echinococcus granulosus	ring and YY1 binding protein	0.0083	0.0157	0.0266
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0083	0.0157	0.0148
Schistosoma mansoni	aldehyde dehydrogenase	0.0069	0.0118	0.0118
Echinococcus multilocularis	neuroglian	0.0035	0.0028	0.0046
Schistosoma mansoni	nephrin	0.0035	0.0028	0.0028
Schistosoma mansoni	hypothetical protein	0.0234	0.0565	0.0565
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0083	0.0157	0.0157
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0624	0.162	1
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.1452	0.3863	1
Toxoplasma gondii	Zn-finger in Ran binding protein and others domain-containing protein	0.0083	0.0157	0.0148
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0083	0.0157	0.0148
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.0083	0.0157	0.0266
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0157	0.0968
Echinococcus granulosus	Zinc finger RanBP2 type	0.0083	0.0157	0.0266
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.3719	1	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0069	0.0118	0.02
Trypanosoma cruzi	hypothetical protein, conserved	0.0083	0.0157	0.0148
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0624	0.162	0.162
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0009	0.0054
Onchocerca volvulus		0.0234	0.0565	0.294
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0062	0.0382
Echinococcus multilocularis	roundabout 2	0.0048	0.0062	0.0105
Schistosoma mansoni	hypothetical protein	0.0234	0.0565	0.0565
Plasmodium vivax	dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.3719	1	1
Brugia malayi	Dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.3719	1	1
Leishmania major	hypothetical protein, conserved	0.0083	0.0157	0.0148
Onchocerca volvulus		0.0322	0.0804	0.466
Trypanosoma cruzi	WLM domain containing protein, putative	0.0083	0.0157	0.0148
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0083	0.0157	0.0148
Schistosoma mansoni	zinc finger protein	0.0083	0.0157	0.0157
Leishmania major	hypothetical protein, conserved	0.0083	0.0157	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0157	0.0968
Echinococcus multilocularis	SWI:SNF matrix associated	0.0234	0.0565	0.0959
Echinococcus multilocularis	zinc finger protein Ran binding	0.0083	0.0157	0.0266
Schistosoma mansoni	fusion	0.0083	0.0157	0.0157
Schistosoma mansoni	TRABID protein (C64 family)	0.0083	0.0157	0.0157
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.1452	0.3863	1
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0083	0.0157	0.0266
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.0234	0.0565	0.0959

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.076 uM	Inhibition of human Vascular endothelial growth factor receptor 2	ChEMBL.	15743202
IC50 (binding)	= 0.076 uM	Inhibition of human Vascular endothelial growth factor receptor 2	ChEMBL.	15743202
IC50 (functional)	= 0.96 uM	Inhibition of VEGF-induced proliferation of human umbilical vein endothelial cells	ChEMBL.	15743202
IC50 (functional)	= 0.96 uM	Inhibition of VEGF-induced proliferation of human umbilical vein endothelial cells	ChEMBL.	15743202

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: CHEMBL193386
PubChem: 5329871

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 339003