TDR Targets

Basic information

Technical information

TDR Targets ID: 291122
Name: 1-(2-methylphenyl)-3-pyridin-4-ylurea
MW: 227.262 | Formula: C13H13N3O
H donors: 2 H acceptors: 2 LogP: 1.78 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccccc1C)Nc1ccncc1
InChi: 1S/C13H13N3O/c1-10-4-2-3-5-12(10)16-13(17)15-11-6-8-14-9-7-11/h2-9H,1H3,(H2,14,15,16,17)
InChiKey: LFNYGLROLWQWSP-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-(o-tolyl)-3-(4-pyridyl)urea
1-(2-methylphenyl)-3-pyridin-4-yl-urea
1-(2-methylphenyl)-3-(4-pyridyl)urea
STK133731
ZINC00067734
Oprea1_843343

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
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.006	0.191	0.191
Entamoeba histolytica	cysteine proteinase, putative	0.0042	0.0797	1
Onchocerca volvulus		0.0042	0.0797	0.4174
Trypanosoma cruzi	cysteine peptidase, putative	0.0103	0.4742	0.4287
Brugia malayi	Papain family cysteine protease containing protein	0.0042	0.0797	0.0797
Leishmania major	cathepsin L-like protease	0.0103	0.4742	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0042	0.0797	0.3489
Schistosoma mansoni	tar DNA-binding protein	0.006	0.1922	0.1922
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0042	0.0797	0.3489
Trypanosoma cruzi	cruzipain precursor, putative	0.0103	0.4742	0.4287
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0042	0.0797	0.3489
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0042	0.0797	0.3489
Loa Loa (eye worm)	fibroinase	0.0042	0.0797	0.0797
Echinococcus granulosus	cathepsin l1	0.0042	0.0797	0.0797
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0042	0.0797	0.0797
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0042	0.0797	0.3489
Leishmania major	cathepsin L-like protease	0.0103	0.4742	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0042	0.0797	0.3489
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0103	0.4742	1
Brugia malayi	Cathepsin L-like precursor	0.0042	0.0797	0.0797
Onchocerca volvulus		0.006	0.191	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0042	0.0797	0.3489
Brugia malayi	RNA recognition motif domain containing protein	0.006	0.1922	0.1922
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0042	0.0797	0.3489
Brugia malayi	RNA binding protein	0.006	0.1922	0.1922
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0103	0.4742	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0103	0.4742	1
Giardia lamblia	Cathepsin B precursor	0.0065	0.2285	0.5
Loa Loa (eye worm)	cathepsin B	0.0065	0.2285	0.2285
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0184	1	1
Schistosoma mansoni	tar DNA-binding protein	0.006	0.1922	0.1922
Brugia malayi	TAR-binding protein	0.006	0.1922	0.1922
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0042	0.0797	0.5
Plasmodium vivax	vivapain-2	0.0042	0.0797	0.5
Brugia malayi	Cathepsin L-like precursor	0.0042	0.0797	0.0797
Schistosoma mansoni	tyrosinase precursor	0.006	0.191	0.191
Schistosoma mansoni	cathepsin F (C01 family)	0.0042	0.0797	0.0797
Entamoeba histolytica	cysteine proteinase, putative	0.0042	0.0797	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0103	0.4742	1
Toxoplasma gondii	cathepsin B	0.0065	0.2285	1
Loa Loa (eye worm)	TAR-binding protein	0.006	0.1922	0.1922
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0042	0.0797	0.3489
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.006	0.1922	0.1922
Echinococcus multilocularis	cathepsin b	0.0184	1	1
Onchocerca volvulus		0.0042	0.0797	0.4174
Schistosoma mansoni	hypothetical protein	0.0032	0.0128	0.0128
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0184	1	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0184	1	1
Loa Loa (eye worm)	RNA binding protein	0.006	0.1922	0.1922
Brugia malayi	Cathepsin L-like precursor	0.0042	0.0797	0.0797
Echinococcus granulosus	cathepsin b	0.0184	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0042	0.0797	0.3489
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.006	0.191	0.191
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0047	0.1095	0.1095
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0042	0.0797	0.3489
Brugia malayi	latrophilin 2 splice variant baaae	0.0032	0.0128	0.0128
Echinococcus multilocularis	tar DNA binding protein	0.006	0.1922	0.1222
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0103	0.4742	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0047	0.1095	0.1095
Loa Loa (eye worm)	ShTK domain-containing protein	0.006	0.191	0.191
Onchocerca volvulus		0.0042	0.0797	0.4174
Echinococcus granulosus	tar DNA binding protein	0.006	0.1922	0.1922
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0091	0.3945	0.3421
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0042	0.0797	0.5
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.006	0.191	0.191
Schistosoma mansoni	cathepsin F (C01 family)	0.0042	0.0797	0.0797
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0042	0.0797	0.0797
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0184	1	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0073	0.2776	0.215
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0042	0.0797	0.3489
Brugia malayi	Hypothetical tyrosinase-like protein F21C3.2 in chromosome I	0.006	0.191	0.191
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0103	0.4742	1
Loa Loa (eye worm)	cysteine protease	0.0042	0.0797	0.0797
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0065	0.2285	1
Onchocerca volvulus		0.0042	0.0797	0.4174
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0042	0.0797	0.3489
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0042	0.0797	0.3489
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0042	0.0797	0.3489
Brugia malayi	Cathepsin L-like precursor	0.0042	0.0797	0.0797
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0042	0.0797	0.5
Loa Loa (eye worm)	hypothetical protein	0.006	0.191	0.191
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0047	0.1095	0.1095
Onchocerca volvulus		0.0042	0.0797	0.4174
Schistosoma mansoni	tyrosinase precursor	0.006	0.191	0.191
Brugia malayi	Cathepsin L-like precursor	0.0042	0.0797	0.0797
Brugia malayi	ShTK domain containing protein	0.006	0.191	0.191
Giardia lamblia	Cathepsin B precursor	0.0065	0.2285	0.5
Onchocerca volvulus		0.006	0.191	1
Onchocerca volvulus	Cathepsin L homolog	0.0042	0.0797	0.4174
Onchocerca volvulus		0.006	0.191	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0103	0.4742	1
Entamoeba histolytica	cysteine protease, putative	0.0042	0.0797	1
Onchocerca volvulus	Cathepsin L homolog	0.0042	0.0797	0.4174
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0065	0.2285	0.2285
Onchocerca volvulus	Cathepsin F homolog	0.0042	0.0797	0.4174
Trypanosoma cruzi	cysteine peptidase, putative	0.0103	0.4742	0.4287
Schistosoma mansoni	tar DNA-binding protein	0.006	0.1922	0.1922
Loa Loa (eye worm)	hypothetical protein	0.0047	0.1095	0.1095
Schistosoma mansoni	tar DNA-binding protein	0.006	0.1922	0.1922
Giardia lamblia	Cathepsin B precursor	0.0065	0.2285	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0042	0.0797	0.3489
Loa Loa (eye worm)	hypothetical protein	0.006	0.191	0.191
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0042	0.0797	0.3489
Onchocerca volvulus		0.006	0.191	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0042	0.0797	0.3489
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0042	0.0797	0.3489
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0103	0.4742	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0042	0.0797	0.3489
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0797	0.0797
Loa Loa (eye worm)	hypothetical protein	0.0184	1	1
Plasmodium vivax	vivapain-2	0.0042	0.0797	0.5
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0184	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0103	0.4742	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0128	0.0128
Echinococcus granulosus	cathepsin b	0.0184	1	1
Echinococcus multilocularis	cathepsin b	0.0184	1	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0042	0.0797	0.0797
Onchocerca volvulus		0.0042	0.0797	0.4174
Leishmania major	cathepsin L-like protease	0.0103	0.4742	1
Schistosoma mansoni	tar DNA-binding protein	0.006	0.1922	0.1922
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0042	0.0797	0.3489
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0065	0.2285	0.1617
Trypanosoma cruzi	cysteine peptidase, putative	0.0103	0.4742	0.4287
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0042	0.0797	0.3489
Loa Loa (eye worm)	ShTK domain-containing protein	0.006	0.191	0.191
Onchocerca volvulus		0.0042	0.0797	0.4174
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0042	0.0797	0.3489
Loa Loa (eye worm)	tyrosinase 1	0.006	0.191	0.191
Loa Loa (eye worm)	ctsf protein	0.0042	0.0797	0.0797
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0103	0.4742	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0042	0.0797	0.3489
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0042	0.0797	0.3489
Brugia malayi	Common central domain of tyrosinase family protein	0.006	0.191	0.191
Brugia malayi	Cathepsin L-like precursor	0.0042	0.0797	0.0797
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0042	0.0797	0.0797
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0103	0.4742	1
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0065	0.2285	0.3771

Activities

Activity type	Activity value	Assay description	Source	Reference
MAD (functional)	> 300 mg kg-1	Anticonvulsant activity against tonic extension produced by maximal electroshock in mice, at 30 min postadministration	ChEMBL.	2299648
MAD (functional)	> 300 mg kg-1	Anticonvulsant activity against tonic extension produced by maximal electroshock in mice, at 30 min postadministration	ChEMBL.	2299648
MED (functional)	= 100 mg kg-1	Anticonvulsant activity against tonic extension produced by maximal electroshock in mice at 30 min postadministration	ChEMBL.	2299648
MED (functional)	= 100 mg kg-1	Anticonvulsant activity against tonic extension produced by maximal electroshock in mice at 30 min postadministration	ChEMBL.	2299648

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: CHEMBL171264
PubChem: 694492

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 291122