TDR Targets

Basic information

Technical information

TDR Targets ID: 1812091
Name: 1-[2-[4-(2-ethyl-4,6-dimethylimidazo[4,5-c]py ridin-1-yl)phenyl]ethyl]-3-(4-methylphenyl)su lfonylurea
MW: 491.605 | Formula: C26H29N5O3S
H donors: 2 H acceptors: 5 LogP: 4.56 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C
InChi: 1S/C26H29N5O3S/c1-5-24-29-25-19(4)28-18(3)16-23(25)31(24)21-10-8-20(9-11-21)14-15-27-26(32)30-35(33,34)22-12-6-17(2)7-13-22/h6-13,16H,5,14-15H2,1-4H3,(H2,27,30,32)
InChiKey: HZVLFTCYCLXTGV-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

1-[2-[4-(2-ethyl-4,6-dimethyl-imidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonyl-urea
1-[2-[4-(2-ethyl-4,6-dimethyl-1-imidazo[4,5-c]pyridinyl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	prostaglandin E receptor 4 (subtype EP4)	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
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0001	0	0.5
Loa Loa (eye worm)	neuropeptide F receptor	0.0003	0.0165	0.5
Brugia malayi	neuropeptide F receptor	0.0003	0.0165	0.5
Onchocerca volvulus		0.0003	0.0165	0.5
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0165	0.5
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0165	0.5
Onchocerca volvulus		0.0003	0.0165	0.5
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0003	0.0165	0.5
Brugia malayi	Melatonin receptor type 1A	0.0003	0.0165	0.5
Entamoeba histolytica	protein kinase, putative	0.0115	1	1
Brugia malayi	G-protein coupled receptor	0.0003	0.0165	0.5
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0165	0.5
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0001	0	0.5
Brugia malayi	G protein-coupled receptor	0.0003	0.0165	0.5
Onchocerca volvulus		0.0003	0.0165	0.5
Entamoeba histolytica	protein kinase, putative	0.0115	1	1
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0003	0.0165	0.5
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0165	0.5
Brugia malayi	hypothetical protein	0.0003	0.0165	0.5
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0003	0.0165	0.5
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0165	0.5
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0165	0.5
Onchocerca volvulus		0.0003	0.0165	0.5
Brugia malayi	RE15519p	0.0003	0.0165	0.5
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0165	0.5
Brugia malayi	putative neuropeptide receptor NPR1	0.0003	0.0165	0.5
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0003	0.0165	0.5
Brugia malayi	follicle stimulating hormone receptor	0.0003	0.0165	0.5
Onchocerca volvulus		0.0003	0.0165	0.5
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0165	0.5
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0165	0.5
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0165	0.5
Onchocerca volvulus		0.0003	0.0165	0.5
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0165	0.5
Leishmania major	protein kinase, putative	0.0001	0	0.5
Brugia malayi	larval opioid receptor	0.0003	0.0165	0.5
Onchocerca volvulus		0.0003	0.0165	0.5
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0165	0.5
Brugia malayi	G protein-coupled receptor F59B2.13	0.0003	0.0165	0.5
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0003	0.0165	0.5
Brugia malayi	hypothetical protein	0.0003	0.0165	0.5
Brugia malayi	Serotonin receptor	0.0003	0.0165	0.5
Brugia malayi	Serotonin receptor	0.0003	0.0165	0.5
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0165	0.5
Brugia malayi	ORL1-like opioid receptor	0.0003	0.0165	0.5
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0165	0.5
Brugia malayi	G-protein coupled receptor	0.0003	0.0165	0.5
Brugia malayi	hypothetical protein	0.0003	0.0165	0.5
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0165	0.5
Leishmania major	serine-threonine protein kinase-like protein	0.0001	0	0.5
Brugia malayi	GnHR receptor homolog	0.0003	0.0165	0.5
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0165	0.5
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0003	0.0165	0.5
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0003	0.0165	0.5
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0165	0.5
Brugia malayi	hypothetical protein	0.0003	0.0165	0.5
Brugia malayi	AKH receptor	0.0003	0.0165	0.5
Leishmania major	protein kinase, putative	0.0001	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0165	0.5
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0165	0.5
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0165	0.5
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0165	0.5
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0001	0	0.5
Leishmania major	protein kinase, putative	0.0001	0	0.5
Brugia malayi	hypothetical protein	0.0003	0.0165	0.5
Onchocerca volvulus		0.0003	0.0165	0.5
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0165	0.5
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0165	0.5
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0165	0.5
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0165	0.5
Brugia malayi	Dopamine receptor protein 1	0.0003	0.0165	0.5
Loa Loa (eye worm)	G-protein coupled receptor	0.0003	0.0165	0.5
Loa Loa (eye worm)	TYRA-2 protein	0.0003	0.0165	0.5
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0165	0.5
Echinococcus granulosus	calcium:calmodulin dependent protein kinase I	0.0115	0.9996	0.9996
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase I	0.0115	0.9996	0.9996
Loa Loa (eye worm)	neuropeptide F receptor	0.0003	0.0165	0.5
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0165	0.5
Brugia malayi	hypothetical protein	0.0003	0.0165	0.5
Brugia malayi	sulfakinin receptor protein	0.0003	0.0165	0.5
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0165	0.5
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0165	0.5
Brugia malayi	hypothetical protein	0.0003	0.0165	0.5
Echinococcus multilocularis	serine:threonine protein kinase Chk2	0.0115	1	1
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0165	0.5
Brugia malayi	hypothetical protein	0.0003	0.0165	0.5
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0165	0.5
Onchocerca volvulus		0.0003	0.0165	0.5
Brugia malayi	Dopamine receptor protein 2	0.0003	0.0165	0.5
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0165	0.5
Onchocerca volvulus		0.0003	0.0165	0.5
Onchocerca volvulus		0.0003	0.0165	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.0115	1	1
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0003	0.0165	0.5
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0003	0.0165	0.5
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0165	0.5
Onchocerca volvulus		0.0003	0.0165	0.5
Onchocerca volvulus		0.0003	0.0165	0.5
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0003	0.0165	0.5
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0165	0.5
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0165	0.5
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0165	0.5
Brugia malayi	hypothetical protein	0.0003	0.0165	0.5
Brugia malayi	Dopamine receptor	0.0003	0.0165	0.5
Brugia malayi	hypothetical protein	0.0003	0.0165	0.5
Brugia malayi	neuropeptide F receptor	0.0003	0.0165	0.5
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0165	0.5
Onchocerca volvulus		0.0003	0.0165	0.5
Brugia malayi	putative neuropeptide receptor	0.0003	0.0165	0.5
Onchocerca volvulus		0.0003	0.0165	0.5
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0165	0.5
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0003	0.0165	0.5
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0165	0.5
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0003	0.0165	0.5
Loa Loa (eye worm)	G-protein coupled receptor	0.0003	0.0165	0.5
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0003	0.0165	0.5
Trypanosoma brucei	Forkhead Kinase, putative	0.0001	0	0.5
Onchocerca volvulus		0.0003	0.0165	0.5
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0165	0.5
Onchocerca volvulus		0.0003	0.0165	0.5
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0165	0.5
Loa Loa (eye worm)	melatonin receptor type 1A	0.0003	0.0165	0.5
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0165	0.5
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0165	0.5
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0165	0.5
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0165	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 11.7 nM	Antagonist activity at recombinant human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-stimulated cAMP accumulation by scintillation proximity assay in presence of [125I]-cAMP	ChEMBL.	26091726
IC50 (binding)	= 11.7 nM	Antagonist activity at human EP4 receptor in HEK293 cells assessed as inhibition of PGE2-induced cAMP accumulation	ChEMBL.	26608552
IC50 (binding)	= 11.7 nM	Antagonist activity against human EP4 expressed in HEK293 cells assessed as inhibition of PGE2-stimulated production of cAMP incubated for 20 mins by HTRF assay	ChEMBL.	27020304
IC50 (binding)	= 689 nM	Displacement of [3H]-PGE2 from recombinant human EP4 receptor expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting analysis	ChEMBL.	26091726
IC50 (binding)	= 1520 nM	Antagonist activity at EP4 receptor in human whole blood assessed as reversal of inhibition of PGE2 mediated LPS-induced TNF alpha production pretreated for 30 mins using 3,3',5,5' tetramethylbiphenyl-4,4'-diamine substrate measured after 20 to 24 hrs by immunoassay	ChEMBL.	26608552
IC50 (binding)	= 1520 nM	Antagonist activity against EP4 in human whole blood assessed as reversal of PGE2-mediated suppression of LPS-induced TNF-alpha production preincubated for 30 mins followed by LPS stimulation measured after 20 to 24 hrs by enzyme immunoassay	ChEMBL.	27020304
IC50 (binding)	= 1600 nM	Antagonist activity at EP4 receptor in LPS-stimulated human whole blood assessed as inhibition of PGE2-induced TNF-alpha release pretreated for 30 mins followed by addition of PGE2 measured after 20 to 24 hrs by immunoassay	ChEMBL.	26764191
IC50 (binding)	= 1614 nM	Antagonist activity at EP4 receptor in LPS-stimulated human whole blood assessed as inhibition of PGE2-induced TNF-alpha reduction preincubated for 30 mins followed by PGE2 addition measured after 24 hrs by ELISA	ChEMBL.	26091726
Ki (binding)	= 448 nM	Antagonist activity at human EP4 receptor	ChEMBL.	26608552
Ki (binding)	= 449 nM	Displacement of [3H]-PGE2 from recombinant human EP4 receptor expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting analysis	ChEMBL.	26091726

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: CHEMBL3039498

Bibliographic References

4 literature references were 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 1812091