TDR Targets

Basic information

Technical information

TDR Targets ID: 1042412
Name: 1,3-bis[4-(4-methyl-4,5-dihydro-3H-imidazol-2 -yl)phenyl]urea
MW: 376.455 | Formula: C21H24N6O
H donors: 4 H acceptors: 1 LogP: 1.21 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CC1CNC(=N1)c1ccc(cc1)NC(=O)Nc1ccc(cc1)C1=NC(CN1)C
InChi: 1S/C21H24N6O/c1-13-11-22-19(24-13)15-3-7-17(8-4-15)26-21(28)27-18-9-5-16(6-10-18)20-23-12-14(2)25-20/h3-10,13-14H,11-12H2,1-2H3,(H,22,24)(H,23,25)(H2,26,27,28)
InChiKey: SWVAXZRNNHSCDR-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

No synonyms found for this compound

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
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.015	0.0422
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0037	0.0139	0.0198
Loa Loa (eye worm)	hypothetical protein	0.0038	0.015	0.0213
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.1156	1	1
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0391	0.3258	0.3249
Onchocerca volvulus		0.0821	0.705	1
Leishmania major	hypothetical protein, conserved	0.0038	0.015	0.0137
Echinococcus granulosus	c src tyrosine kinase	0.0037	0.0139	0.0198
Brugia malayi	SRC-1	0.0037	0.0139	0.0198
Schistosoma mansoni	microtubule-associated protein tau	0.0725	0.6206	0.8802
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0821	0.705	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0037	0.0139	0.0198
Schistosoma mansoni	ran	0.0022	0.0014	0.0019
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.015	0.0422
Brugia malayi	beta-lactamase family protein	0.0038	0.015	0.0213
Trypanosoma brucei	importin beta-1 subunit, putative	0.003	0.0084	0.0071
Brugia malayi	beta-lactamase family protein	0.0038	0.015	0.0213
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.015	0.0137
Loa Loa (eye worm)	dihydrofolate reductase	0.0335	0.2767	0.3924
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0335	0.2767	0.3792
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0037	0.0139	0.019
Echinococcus multilocularis	thymidylate synthase	0.0821	0.705	0.9626
Brugia malayi	RNA, U transporter 1	0.0086	0.0576	0.0817
Loa Loa (eye worm)	hypothetical protein	0.0038	0.015	0.0213
Brugia malayi	Tyrosine-protein kinase abl-1	0.0037	0.0139	0.0198
Mycobacterium ulcerans	thymidylate synthase	0.0821	0.705	1
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0022	0.0014	0.0019
Trichomonas vaginalis	conserved hypothetical protein	0.0391	0.3258	1
Plasmodium falciparum	importin beta, putative	0.003	0.0084	0.0071
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0037	0.0139	0.019
Schistosoma mansoni	growth factor receptor-bound protein	0.0032	0.0099	0.0141
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0821	0.705	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.015	0.0422
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.1156	1	1
Schistosoma mansoni	tyrosine kinase	0.0037	0.0139	0.0198
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0037	0.0139	0.019
Onchocerca volvulus		0.0038	0.015	0.0213
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0038	0.015	0.0213
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0037	0.0139	0.0198
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0037	0.0139	0.019
Schistosoma mansoni	tyrosine kinase	0.0037	0.0139	0.0198
Loa Loa (eye worm)	hypothetical protein	0.0038	0.015	0.0213
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.015	0.0422
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.015	0.0422
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0037	0.0139	0.019
Echinococcus granulosus	thymidylate synthase	0.0821	0.705	1
Echinococcus granulosus	importin subunit beta 1	0.003	0.0084	0.0119
Schistosoma mansoni	dihydrofolate reductase	0.0335	0.2767	0.3924
Loa Loa (eye worm)	hypothetical protein	0.0038	0.015	0.0213
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0037	0.0139	0.019
Brugia malayi	Variant SH3 domain containing protein	0.0032	0.0099	0.0141
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0022	0.0014	0.0019
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0037	0.0139	0.0198
Echinococcus multilocularis	NCK adaptor protein	0.0032	0.0099	0.0135
Echinococcus multilocularis	importin subunit beta 1	0.003	0.0084	0.0115
Schistosoma mansoni	growth factor receptor-bound protein	0.0032	0.0099	0.0141
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.015	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0038	0.015	0.0213
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0099	0.0141
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0037	0.0139	0.019
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0037	0.0139	0.0198
Echinococcus granulosus	snurportin 1	0.0324	0.2667	0.3783
Echinococcus granulosus	beta LACTamase domain containing family member	0.0038	0.015	0.0213
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0025	0.0034	0.0062
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0037	0.0139	0.019
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0852	0.7324	1
Loa Loa (eye worm)	SRC-1	0.0037	0.0139	0.0198
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0037	0.0139	0.019
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0038	0.015	0.0205
Onchocerca volvulus		0.0038	0.015	0.0213
Loa Loa (eye worm)	thymidylate synthase	0.0821	0.705	1
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.0032	0.0099	0.0141
Echinococcus multilocularis	c src tyrosine kinase	0.0037	0.0139	0.019
Echinococcus multilocularis	dihydrofolate reductase	0.0335	0.2767	0.3777
Brugia malayi	thymidylate synthase	0.0821	0.705	1
Echinococcus granulosus	dihydrofolate reductase	0.0335	0.2767	0.3924
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0335	0.2767	0.3792
Chlamydia trachomatis	dihydrofolate reductase	0.0335	0.2767	0.5
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0037	0.0139	0.0198
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0032	0.0099	0.0141
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0037	0.0139	0.0198
Brugia malayi	Dihydrofolate reductase	0.0335	0.2767	0.3924
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0025	0.0034	0.002
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0025	0.0034	0.0062
Loa Loa (eye worm)	hypothetical protein	0.003	0.0084	0.0119
Entamoeba histolytica	hypothetical protein	0.0025	0.0034	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.015	0.0213
Trypanosoma brucei	hypothetical protein, conserved	0.0038	0.015	0.0137
Schistosoma mansoni	tyrosine kinase	0.0037	0.0139	0.0198
Schistosoma mansoni	tyrosine kinase	0.0037	0.0139	0.0198
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0037	0.0139	0.0198
Echinococcus multilocularis	snurportin 1	0.0324	0.2667	0.3641
Echinococcus granulosus	microtubule associated protein 2	0.0725	0.6206	0.8802
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.1156	1	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0038	0.015	0.0213
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0324	0.2667	0.3783
Trichomonas vaginalis	importin beta-1, putative	0.0025	0.0034	0.0062
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0821	0.705	1
Schistosoma mansoni	nck2/grb4	0.0032	0.0099	0.0141
Loa Loa (eye worm)	hypothetical protein	0.0038	0.015	0.0213
Loa Loa (eye worm)	beta-lactamase	0.0038	0.015	0.0213
Leishmania major	importin beta-1 subunit, putative	0.0025	0.0034	0.002
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.1156	1	1
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0037	0.0139	0.0198
Schistosoma mansoni	adapter molecule crk	0.0032	0.0099	0.0141
Onchocerca volvulus		0.0038	0.015	0.0213
Echinococcus multilocularis	microtubule associated protein 2	0.0725	0.6206	0.8473
Trichomonas vaginalis	esterase, putative	0.0038	0.015	0.0422
Schistosoma mansoni	hypothetical protein	0.0324	0.2667	0.3783
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0032	0.0099	0.0141
Echinococcus multilocularis	growth factor receptor bound protein 2	0.0032	0.0099	0.0135
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0335	0.2767	0.3792
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0037	0.0139	0.019
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0037	0.0139	0.019
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.015	0.0213
Toxoplasma gondii	ABC1 family protein	0.0038	0.015	0.0137
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0037	0.0139	0.0198
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0022	0.0014	0.0019
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0022	0.0014	0.5
Entamoeba histolytica	Ran family GTPase	0.0022	0.0014	0.4042
Toxoplasma gondii	HEAT repeat-containing protein	0.003	0.0084	0.0071
Brugia malayi	Sex muscle abnormal protein 5	0.0032	0.0099	0.0141
Brugia malayi	hypothetical protein	0.0391	0.3258	0.4621
Brugia malayi	Importin beta-1 subunit	0.003	0.0084	0.0119
Echinococcus granulosus	NCK adaptor protein	0.0032	0.0099	0.0141
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0022	0.0014	0.0019
Brugia malayi	dihydrofolate reductase family protein	0.0335	0.2767	0.3924
Plasmodium vivax	hypothetical protein, conserved	0.0038	0.015	0.0137
Mycobacterium tuberculosis	Hypothetical protein	0.0391	0.3258	0.4504
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0242	0.1947	0.2603
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.1156	1	1
Trypanosoma brucei	importin beta-1 subunit, putative	0.003	0.0084	0.0071
Schistosoma mansoni	importin beta-1	0.003	0.0084	0.0119
Brugia malayi	Variant SH3 domain containing protein	0.0032	0.0099	0.0141
Echinococcus granulosus	growth factor receptor bound protein 2	0.0032	0.0099	0.0141
Brugia malayi	beta-lactamase	0.0038	0.015	0.0213
Plasmodium vivax	importin-beta 2, putative	0.003	0.0084	0.0071
Schistosoma mansoni	ran	0.0022	0.0014	0.0019

Activities

No activities found for this compound.

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: CHEMBL545874

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 1042412