TDR Targets

Basic information

Technical information

TDR Targets ID: 312090
Name: 1-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4 -yl)-3-ethylurea
MW: 282.766 | Formula: C14H19ClN2O2
H donors: 2 H acceptors: 1 LogP: 2.61 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CCNC(=O)NC1CC(C)(C)Oc2c1cc(Cl)cc2
InChi: 1S/C14H19ClN2O2/c1-4-16-13(18)17-11-8-14(2,3)19-12-6-5-9(15)7-10(11)12/h5-7,11H,4,8H2,1-3H3,(H2,16,17,18)
InChiKey: MYGMVHZKQFXNDC-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-(6-chloro-2,2-dimethyl-chroman-4-yl)-3-ethyl-urea
1-(6-chloro-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-3-ethylurea
1-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-ethyl-urea
1-(6-chloro-2,2-dimethylchroman-4-yl)-3-ethylurea
1-(6-chloro-2,2-dimethyl-4-chromanyl)-3-ethylurea

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
Treponema pallidum	pfs protein (pfs)	0.0166	0.1392	1
Leishmania major	nucleoside phosphorylase-like protein	0.0166	0.1392	1
Entamoeba histolytica	MTA/SAH nucleosidase, putative	0.0166	0.1392	0.5
Echinococcus multilocularis	uridine phosphorylase 1	0.0166	0.1392	0.1568
Schistosoma mansoni	uridine phosphorylase	0.0166	0.1392	0.1568
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0058	0.0122	0.0122
Echinococcus multilocularis	purine nucleoside phosphorylase	0.08	0.8877	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0058	0.0122	0.0122
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0166	0.1392	0.1478
Brugia malayi	Phosphoribosyl transferase domain containing protein	0.0089	0.0484	0.0484
Loa Loa (eye worm)	transcription factor SMAD2	0.0139	0.1077	0.1077
Trypanosoma cruzi	hypoxanthine-guanine phosphoribosyltransferase, putative	0.0089	0.0484	0.3008
Giardia lamblia	Purine nucleoside phosphorylase lateral transfer candidate	0.08	0.8877	1
Loa Loa (eye worm)	hypothetical protein	0.0237	0.223	0.223
Mycobacterium tuberculosis	Probable bifunctional MTA/SAH nucleosidase Mtn: 5'-methylthioadenosine nucleosidase (methylthioadenosine methylthioribohydrolase	0.0166	0.1392	0.1568
Trypanosoma brucei	uridine phosphorylase	0.0166	0.1392	1
Giardia lamblia	5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase	0.0166	0.1392	0.1082
Schistosoma mansoni	hypothetical protein	0.0048	0.0007	0.0008
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0055	0.009	0.0101
Echinococcus multilocularis	purine nucleoside phosphorylase	0.08	0.8877	1
Echinococcus multilocularis	methylthioadenosine phosphorylase	0.0166	0.1392	0.1568
Brugia malayi	MTAP	0.0166	0.1392	0.1392
Echinococcus granulosus	purine nucleoside phosphorylase	0.08	0.8877	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.08	0.8877	1
Mycobacterium tuberculosis	Hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (imp pyrophosphor	0.0068	0.0239	0.027
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0122	0.0122
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0166	0.1392	0.5
Brugia malayi	Probable ClpP-like protease	0.0091	0.0511	0.0511
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0166	0.1392	1
Brugia malayi	MH2 domain containing protein	0.0139	0.1077	0.1077
Giardia lamblia	UPL-1	0.0166	0.1392	0.1082
Echinococcus granulosus	purine nucleoside phosphorylase	0.08	0.8877	1
Onchocerca volvulus		0.0117	0.0817	0.0913
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0166	0.1392	0.1568
Schistosoma mansoni	uridine phosphorylase	0.0166	0.1392	0.1568
Schistosoma mansoni	lipoxygenase	0.0055	0.009	0.0101
Echinococcus granulosus	inosine guanosine and xanthosine phosphorylase	0.0635	0.6922	0.7798
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0091	0.0511	0.0296
Loa Loa (eye worm)	thymidylate synthase	0.0117	0.0817	0.0817
Mycobacterium ulcerans	bifunctional Mta/Sah nucleosidase Mtn	0.0166	0.1392	0.1568
Trypanosoma cruzi	hypoxanthine-guanine phosphoribosyltransferase, putative	0.0089	0.0484	0.3008
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0511	0.0511
Treponema pallidum	uridine phosphorylase (udp)	0.0166	0.1392	1
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0166	0.1392	0.1478
Plasmodium vivax	purine nucleoside phosphorylase, putative	0.0166	0.1392	1
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0165	0.1379	0.9855
Echinococcus granulosus	uridine phosphorylase 1	0.0166	0.1392	0.1568
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0166	0.1392	0.1478
Schistosoma mansoni	peptidase Clp (S14 family)	0.0091	0.0511	0.0576
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0091	0.0511	0.5
Echinococcus multilocularis	hypoxanthine guanine phosphoribosyltransferase	0.0089	0.0484	0.0546
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0166	0.1392	0.1568
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0091	0.0511	0.0576
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0165	0.1379	0.9855
Mycobacterium leprae	Probable hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (IMP pho	0.0068	0.0239	0.027
Toxoplasma gondii	phosphorylase family protein	0.0166	0.1392	1
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0048	0.0007	0.0007
Echinococcus multilocularis	peptidase Clp (S14 family)	0.006	0.0141	0.0159
Echinococcus multilocularis	purine nucleoside phosphorylase	0.08	0.8877	1
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0117	0.0817	0.092
Trypanosoma cruzi	methylthioadenosine phosphorylase, putative	0.0166	0.1392	1
Loa Loa (eye worm)	hypothetical protein	0.0635	0.6922	0.6922
Echinococcus granulosus	hypoxanthine guanine phosphoribosyltransferase	0.0089	0.0484	0.0546
Giardia lamblia	5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase	0.0166	0.1392	0.1082
Echinococcus multilocularis	purine nucleoside phosphorylase	0.08	0.8877	1
Mycobacterium ulcerans	5'-methylthioadenosine phosphorylase	0.0166	0.1392	0.1568
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0166	0.1392	0.5
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0635	0.6922	0.7798
Trypanosoma brucei	methylthioadenosine phosphorylase, putative	0.0166	0.1392	1
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0091	0.0511	0.0296
Giardia lamblia	Deoxynucleoside kinase	0.0423	0.4425	0.4695
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.006	0.0141	0.0159
Echinococcus multilocularis	survival motor neuron protein 1	0.0237	0.223	0.2512
Mycobacterium tuberculosis	Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP)	0.08	0.8877	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0091	0.0511	0.0296
Chlamydia trachomatis	AMP nucleosidase	0.0166	0.1392	1
Echinococcus granulosus	methylthioadenosine phosphorylase	0.0166	0.1392	0.1568
Loa Loa (eye worm)	S-methyl-5'-thioadenosine phosphorylase MTAP	0.0166	0.1392	0.1392
Mycobacterium ulcerans	hypoxanthine-guanine phosphoribosyltransferase Hpt	0.0089	0.0484	0.0546
Schistosoma mansoni	purine nucleoside phosphorylase	0.08	0.8877	1
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0117	0.0817	0.092
Schistosoma mansoni	purine nucleoside phosphorylase	0.08	0.8877	1
Leishmania major	methylthioadenosine phosphorylase, putative	0.0166	0.1392	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.08	0.8877	1
Onchocerca volvulus		0.0089	0.0484	0.0538
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0166	0.1392	0.1478
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0166	0.1392	1
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0091	0.0511	0.0576
Mycobacterium tuberculosis	Hypothetical protein	0.0166	0.1392	0.1568
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0165	0.1379	0.9855
Brugia malayi	hypothetical protein	0.0237	0.223	0.223
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0091	0.0511	0.0296
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0166	0.1392	0.1568
Brugia malayi	thymidylate synthase	0.0117	0.0817	0.0817
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0166	0.1392	0.1478
Trypanosoma cruzi	hypoxanthine-guanine phosphoribosyltransferase, putative	0.0089	0.0484	0.3008
Brugia malayi	hypothetical protein	0.0056	0.0094	0.0094
Trichomonas vaginalis	purine nucleoside phosphorylase I, putative	0.08	0.8877	1
Trichomonas vaginalis	conserved hypothetical protein	0.0166	0.1392	0.1478
Brugia malayi	uridine phosphorylase family protein	0.0166	0.1392	0.1392
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0165	0.1379	0.9899
Schistosoma mansoni	survival motor neuron protein	0.0048	0.0007	0.0008
Echinococcus granulosus	survival motor neuron protein 1	0.0237	0.223	0.2512
Trichomonas vaginalis	conserved hypothetical protein	0.0166	0.1392	0.1478
Trichomonas vaginalis	hypoxanthine-guanine phosphoribosyltransferase, putative	0.0089	0.0484	0.0445
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0166	0.1392	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.023	0.2154	0.2426
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0055	0.009	0.0101
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0091	0.0511	0.0576
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0166	0.1392	0.1478
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0091	0.0511	0.3672
Entamoeba histolytica	hypothetical protein	0.0166	0.1392	0.5
Loa Loa (eye worm)	uridine phosphorylase	0.0166	0.1392	0.1392
Mycobacterium leprae	Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP)	0.08	0.8877	1
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0091	0.0511	0.0576
Echinococcus granulosus	purine nucleoside phosphorylase	0.08	0.8877	1
Mycobacterium ulcerans	thymidylate synthase	0.0117	0.0817	0.092
Echinococcus granulosus	purine nucleoside phosphorylase	0.08	0.8877	1
Echinococcus granulosus	hypoxanthine guanine phosphoribosyltransferase	0.0089	0.0484	0.0546
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.006	0.0141	0.0159
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0166	0.1392	0.1568
Echinococcus multilocularis	hypoxanthine guanine phosphoribosyltransferase	0.0089	0.0484	0.0546
Toxoplasma gondii	phosphorylase family protein	0.0166	0.1392	1
Trypanosoma cruzi	methylthioadenosine phosphorylase, putative	0.0166	0.1392	1
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0166	0.1392	0.5
Mycobacterium leprae	probable uridine phosphorylase	0.0166	0.1392	0.1568
Mycobacterium ulcerans	purine nucleoside phosphorylase	0.08	0.8877	1
Onchocerca volvulus	Purine nucleoside phosphorylase homolog	0.08	0.8877	1
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0166	0.1392	0.5
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0091	0.0511	0.0576
Echinococcus granulosus	purine nucleoside phosphorylase	0.08	0.8877	1
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0165	0.1379	0.9855
Trypanosoma cruzi	hypoxanthine-guanine phosphoribosyltransferase, putative	0.0089	0.0484	0.3008
Schistosoma mansoni	hypoxanthine-guanine phosphoribosyltransferase	0.0089	0.0484	0.0546
Loa Loa (eye worm)	hypothetical protein	0.0895	1	1
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0165	0.1379	0.9855
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0091	0.0511	0.3672
Loa Loa (eye worm)	MH2 domain-containing protein	0.0139	0.1077	0.1077
Echinococcus multilocularis	purine nucleoside phosphorylase	0.08	0.8877	1
Schistosoma mansoni	hypoxanthine-guanine phosphoribosyltransferase	0.0089	0.0484	0.0546
Echinococcus granulosus	peptidase Clp S14 family	0.006	0.0141	0.0159
Echinococcus granulosus	thymidylate synthase	0.0117	0.0817	0.092
Toxoplasma gondii	Purine nucleoside phosphorylase	0.0166	0.1392	1
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.006	0.0141	0.0159
Echinococcus granulosus	purine nucleoside phosphorylase	0.08	0.8877	1
Plasmodium falciparum	purine nucleoside phosphorylase	0.0166	0.1392	1
Echinococcus multilocularis	thymidylate synthase	0.0117	0.0817	0.092
Treponema pallidum	purine nucleoside phosphorylase (deoD)	0.0166	0.1392	1
Loa Loa (eye worm)	hypothetical protein	0.0872	0.9721	0.9721
Echinococcus multilocularis	purine nucleoside phosphorylase	0.08	0.8877	1
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0635	0.6922	0.7798
Mycobacterium tuberculosis	Hypothetical protein	0.0056	0.0094	0.0106
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0166	0.1392	0.1478
Brugia malayi	purine nucleoside phosphorylase I, inosine and guanosine-specific family protein	0.08	0.8877	0.8877
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0117	0.0817	0.092
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0058	0.0122	0.0122
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0166	0.1392	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	= 6.8 uM	Myorelaxant activity of thecompound against insulinsecretion in the pancreatic islets ofrat; (activity expressed as ED50)	ChEMBL.	15658874
pED50 (binding)	= 5.17	Inhibition of SUR2A/kir6.2 channel in Wistar rat thoracic aorta assessed as relaxation of Kcl-induced contraction	ChEMBL.	18353509
Residual secretion (functional)	= 89.5 %	Percentage of residual insulinsecretion value in the pancreaticislets of rat after treatment with thecompound at 10 uM concentration	ChEMBL.	15658874

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: CHEMBL175672
PubChem: 11208334

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 312090