TDR Targets

Basic information

Technical information

TDR Targets ID: 1500953
Name: 3-(3-chlorophenyl)-1-naphthalen-1-ylurea
MW: 296.751 | Formula: C17H13ClN2O
H donors: 2 H acceptors: 1 LogP: 4.36 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1cccc2c1cccc2)Nc1cccc(c1)Cl
InChi: 1S/C17H13ClN2O/c18-13-7-4-8-14(11-13)19-17(21)20-16-10-3-6-12-5-1-2-9-15(12)16/h1-11H,(H2,19,20,21)
InChiKey: GXIGKOPMCKTHTL-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

3-(3-chlorophenyl)-1-(1-naphthyl)urea
3-(3-chlorophenyl)-1-naphthalen-1-yl-urea
IVK/0053703

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	0.0035	0.0415	0.0415
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0361	1	1
Schistosoma mansoni	tar DNA-binding protein	0.013	0.3223	0.3223
Brugia malayi	TAR-binding protein	0.013	0.3223	0.3223
Schistosoma mansoni	tar DNA-binding protein	0.013	0.3223	0.3223
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.0361	1	0.5
Trichomonas vaginalis	CMGC family protein kinase	0.0361	1	0.5
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0415	0.0415
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0889	0.0889
Onchocerca volvulus		0.0361	1	1
Trypanosoma brucei	protein kinase, putative	0.0361	1	0.5
Schistosoma mansoni	hypothetical protein	0.0035	0.0415	0.0415
Plasmodium vivax	glycogen synthase kinase 3, putative	0.0361	1	0.5
Giardia lamblia	Kinase, CMGC GSK	0.0361	1	0.5
Entamoeba histolytica	protein kinase domain containing protein	0.0361	1	0.5
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.0361	1	1
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.0361	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.0361	1	0.5
Brugia malayi	RNA binding protein	0.013	0.3223	0.3223
Echinococcus granulosus	protein kinase shaggy	0.0361	1	1
Schistosoma mansoni	hypothetical protein	0.0173	0.4483	0.4483
Schistosoma mansoni	tar DNA-binding protein	0.013	0.3223	0.3223
Loa Loa (eye worm)	RNA binding protein	0.013	0.3223	0.3223
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.0361	1	1
Brugia malayi	RNA recognition motif domain containing protein	0.013	0.3223	0.3223
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.0889	0.0889
Giardia lamblia	Kinase, CMGC GSK	0.0361	1	0.5
Echinococcus granulosus	tar DNA binding protein	0.013	0.3223	0.3223
Echinococcus granulosus	geminin	0.0173	0.4483	0.4483
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.0361	1	0.5
Entamoeba histolytica	protein kinase, putative	0.0361	1	0.5
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.013	0.3223	0.3223
Loa Loa (eye worm)	TAR-binding protein	0.013	0.3223	0.3223
Entamoeba histolytica	protein kinase domain containing protein	0.0361	1	0.5
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.0361	1	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.0889	0.0889
Schistosoma mansoni	tar DNA-binding protein	0.013	0.3223	0.3223
Echinococcus multilocularis	protein kinase shaggy	0.0361	1	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.0889	0.0889
Echinococcus multilocularis	geminin	0.0173	0.4483	0.4483
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0361	1	1
Schistosoma mansoni	hypothetical protein	0.0173	0.4483	0.4483
Echinococcus multilocularis	tar DNA binding protein	0.013	0.3223	0.3223
Schistosoma mansoni	tar DNA-binding protein	0.013	0.3223	0.3223
Plasmodium falciparum	glycogen synthase kinase 3	0.0361	1	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
LD50 (ADMET)	= 10 uM	Cytotoxicity against human BJ cells after 72 hrs by Cell titer-glo assay	ChEMBL.	21243104
LD50 (ADMET)	= 10 uM	Cytotoxicity against human HEK293 cells after 72 hrs by Cell titer-glo assay	ChEMBL.	21243104
LD50 (ADMET)	= 10 uM	Cytotoxicity against human HepG2 cells after 72 hrs by Cell titer-glo assay	ChEMBL.	21243104
LD50 (ADMET)	= 10 uM	Cytotoxicity against human Raji cells after 72 hrs by Cell titer-glo assay	ChEMBL.	21243104

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: CHEMBL1688084

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 1500953