TDR Targets

Basic information

Technical information

TDR Targets ID: 1896774
Name: 3-methyl-1-[4-(5-methyl-1H-imidazol-4-yl)buty l]thiourea
MW: 226.342 | Formula: C10H18N4S
H donors: 3 H acceptors: 1 LogP: 1.21 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CNC(=S)NCCCCc1nc[nH]c1C
InChi: 1S/C10H18N4S/c1-8-9(14-7-13-8)5-3-4-6-12-10(15)11-2/h7H,3-6H2,1-2H3,(H,13,14)(H2,11,12,15)
InChiKey: UKUMBWIAJWVEDN-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

51264-00-7
4-Methylburimamide
C11801
N-Methyl-N'-(4-(5-methyl-1H-imidazol-4-yl)butyl)thiourea
Thiourea, N-methyl-N'-(4-(5-methyl-1H-imidazol-4-yl)butyl)-

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
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.012	0.0328	0.033
Brugia malayi	hypothetical protein	0.012	0.0328	0.0369
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.012	0.0328	0.0369
Loa Loa (eye worm)	protein-tyrosine-phosphatase	0.012	0.0328	0.0369
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.012	0.0328	0.0369
Brugia malayi	hypothetical protein	0.012	0.0328	0.0369
Brugia malayi	protein-tyrosine phosphatase Lar-like precursor, putative	0.0162	0.0515	0.0578
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.012	0.0328	0.0369
Loa Loa (eye worm)	hypothetical protein	0.012	0.0328	0.0369
Onchocerca volvulus		0.012	0.0328	0.5767
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.012	0.0328	0.0369
Onchocerca volvulus		0.012	0.0328	0.5767
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.012	0.0328	0.0369
Onchocerca volvulus	4.1 G protein, putative homolog	0.012	0.0328	0.5767
Onchocerca volvulus		0.012	0.0328	0.5767
Schistosoma mansoni	rgs-gaip interacting protein gipc	0.012	0.0328	0.0369
Onchocerca volvulus		0.012	0.0328	0.5767
Brugia malayi	hypothetical protein	0.012	0.0328	0.0369
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.012	0.0328	0.033
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.012	0.0328	0.0328
Echinococcus granulosus	Receptor type tyrosine protein phosphatase O	0.012	0.0328	0.0328
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.012	0.0328	0.0369
Loa Loa (eye worm)	hypothetical protein	0.012	0.0328	0.0369
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0162	0.0515	0.0517
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.012	0.0328	0.0328
Trypanosoma cruzi	tyrosine specific protein phosphatase, putative	0.012	0.0328	0.6376
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.012	0.0328	0.0328
Schistosoma mansoni	receptor protein tyrosine phosphatase	0.0129	0.0366	0.041
Onchocerca volvulus		0.012	0.0328	0.5767
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.017	0.0552	0.0554
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.2272	0.9963	1
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.012	0.0328	0.0369
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.012	0.0328	0.033
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.012	0.0328	0.0369
Entamoeba histolytica	rodhanase-like domain containing protein	0.0064	0.0074	0.2255
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.012	0.0328	0.0369
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.012	0.0328	0.033
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.017	0.0552	0.062
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.012	0.0328	0.0369
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.012	0.0328	0.0369
Onchocerca volvulus		0.012	0.0328	0.5767
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0177	0.0583	0.0585
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.012	0.0328	0.033
Trypanosoma brucei	protein tyrosine phosphatase 1	0.012	0.0328	1
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.012	0.0328	0.0369
Echinococcus granulosus	protein tyrosine phosphatase n9	0.012	0.0328	0.0328
Onchocerca volvulus		0.012	0.0328	0.5767
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0177	0.0583	0.0583
Loa Loa (eye worm)	dual specificity protein phosphatase CDC14B	0.012	0.0328	0.0369
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.012	0.0328	0.0369
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.012	0.0328	0.0369
Loa Loa (eye worm)	hypothetical protein	0.012	0.0328	0.0369
Loa Loa (eye worm)	protein-tyrosine phosphatase 1	0.012	0.0328	0.0369
Loa Loa (eye worm)	hypothetical protein	0.012	0.0328	0.0369
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.012	0.0328	1
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.017	0.0552	0.062
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.2036	0.8908	0.8908
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0007	0.0007
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0129	0.0366	0.041
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.012	0.0328	0.0369
Schistosoma mansoni	pcd6 interacting protein-related	0.012	0.0328	0.0369
Schistosoma mansoni	protein-tyrosine phosphatase non-receptor type nt5	0.012	0.0328	0.0369
Plasmodium vivax	serine/threonine protein phosphatase 2B catalytic subunit A, putative	0.0047	0	0.5
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.012	0.0328	0.0328
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.012	0.0328	0.0369
Entamoeba histolytica	rodhanase-like domain containing protein	0.0064	0.0074	0.2255
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.012	0.0328	0.0369
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.012	0.0328	0.0369
Onchocerca volvulus		0.012	0.0328	0.5767
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.017	0.0552	0.062
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0074	0.0083
Leishmania major	tyrosine specific protein phosphatase, putative	0.0162	0.0515	1
Loa Loa (eye worm)	protein tyrosine phosphatase	0.012	0.0328	0.0369
Onchocerca volvulus		0.012	0.0328	0.5767
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.2036	0.8908	1
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.012	0.0328	0.0369
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.2036	0.8908	1
Plasmodium falciparum	serine/threonine protein phosphatase 2B catalytic subunit A	0.0047	0	0.5
Onchocerca volvulus		0.012	0.0328	0.5767
Onchocerca volvulus		0.012	0.0328	0.5767
Trichomonas vaginalis	pten, drome, putative	0.012	0.0328	1
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0162	0.0515	0.0517
Loa Loa (eye worm)	hypothetical protein	0.012	0.0328	0.0369
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0177	0.0583	0.0585
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0177	0.0583	0.0655
Onchocerca volvulus		0.012	0.0328	0.5767
Loa Loa (eye worm)	hypothetical protein	0.012	0.0328	0.0369
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.012	0.0328	0.0369
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.012	0.0328	0.0369
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0074	0.0083
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.012	0.0328	0.033
Brugia malayi	hypothetical protein	0.012	0.0328	0.0369
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.012	0.0328	0.0369
Echinococcus granulosus	Receptor type tyrosine protein phosphatase O	0.012	0.0328	0.0328
Onchocerca volvulus		0.012	0.0328	0.5767
Onchocerca volvulus		0.012	0.0328	0.5767
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.012	0.0328	0.0369
Echinococcus multilocularis	receptor type tyrosine protein phosphatase H	0.012	0.0328	0.033
Loa Loa (eye worm)	hypothetical protein	0.012	0.0328	0.0369
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.0129	0.0366	0.0366
Loa Loa (eye worm)	hypothetical protein	0.012	0.0328	0.0369
Onchocerca volvulus		0.012	0.0328	0.5767
Loa Loa (eye worm)	hypothetical protein	0.012	0.0328	0.0369
Onchocerca volvulus		0.012	0.0328	0.5767
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.012	0.0328	0.0369
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.012	0.0328	0.0369
Echinococcus multilocularis	m phase inducer phosphatase(cdc25)	0.0064	0.0074	0.0074
Brugia malayi	Protein-tyrosine phosphatase 1	0.012	0.0328	0.0369
Onchocerca volvulus		0.012	0.0328	0.5767
Toxoplasma gondii	protein phosphatase 2B catalytic subunit, calcineurin family phosphatse superfamily protein	0.0047	0	0.5
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.012	0.0328	0.0369
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.012	0.0328	0.0369
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.2036	0.8908	0.8941
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.012	0.0328	0.0328
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0177	0.0583	0.0583
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.012	0.0328	0.0328
Echinococcus multilocularis	protein tyrosine phosphatase n9	0.012	0.0328	0.033
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.012	0.0328	0.0369
Schistosoma mansoni	protein tyrosine phosphatase	0.012	0.0328	0.0369
Schistosoma mansoni	protein tyrosine phosphatase	0.0129	0.0366	0.041
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.012	0.0328	0.0369
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0052	0.0058
Echinococcus multilocularis	hypothetical protein	0.012	0.0328	0.033
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.017	0.0552	0.0554
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.2272	0.9963	0.9963
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.012	0.0328	0.033
Schistosoma mansoni	protein-tyrosine phosphatase n9	0.012	0.0328	0.0369
Entamoeba histolytica	rodhanase-like domain containing protein	0.0064	0.0074	0.2255
Schistosoma mansoni	m-phase inducer phosphatase(cdc25)	0.0064	0.0074	0.0083
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0162	0.0515	0.0517
Leishmania major	protein-tyrosine phosphatase 1-like protein	0.012	0.0328	0.6376
Loa Loa (eye worm)	hypothetical protein	0.012	0.0328	0.0369
Schistosoma mansoni	receptor protein tyrosine phosphatase n (ia2)	0.012	0.0328	0.0369
Brugia malayi	Protein-tyrosine phosphatase	0.0129	0.0366	0.041
Onchocerca volvulus		0.012	0.0328	0.5767
Giardia lamblia	Protein tyrosine phosphatase	0.012	0.0328	0.5
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.012	0.0328	0.0328
Loa Loa (eye worm)	hypothetical protein	0.012	0.0328	0.0369
Brugia malayi	hypothetical protein	0.012	0.0328	0.0369
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.012	0.0328	0.0369
Loa Loa (eye worm)	hypothetical protein	0.012	0.0328	0.0369
Schistosoma mansoni	non-receptor protein-tyrosine phosphatase	0.012	0.0328	0.0369
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.012	0.0328	0.0328
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.012	0.0328	1
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.012	0.0328	0.033
Trypanosoma cruzi	tyrosine specific protein phosphatase, putative	0.0162	0.0515	1
Onchocerca volvulus		0.012	0.0328	0.5767
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.012	0.0328	0.0369
Brugia malayi	Dual specificity protein phosphatase CDC14B	0.012	0.0328	0.0369
Loa Loa (eye worm)	hypothetical protein	0.012	0.0328	0.0369
Onchocerca volvulus		0.012	0.0328	0.5767
Loa Loa (eye worm)	hypothetical protein	0.012	0.0328	0.0369
Loa Loa (eye worm)	hypothetical protein	0.005	0.0013	0.0015
Loa Loa (eye worm)	hypothetical protein	0.012	0.0328	0.0369
Echinococcus multilocularis		0.012	0.0328	0.033
Loa Loa (eye worm)	hypothetical protein	0.012	0.0328	0.0369
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.012	0.0328	0.0328
Trypanosoma cruzi	tyrosine specific protein phosphatase, putative	0.0162	0.0515	1
Loa Loa (eye worm)	hypothetical protein	0.012	0.0328	0.0369
Brugia malayi	Rhodanese-like domain containing protein	0.0064	0.0074	0.0083
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.012	0.0328	0.0328
Loa Loa (eye worm)	hypothetical protein	0.012	0.0328	0.0369
Entamoeba histolytica	Pten 3-phosphoinositide phosphatase, putative	0.012	0.0328	1
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0177	0.0583	0.0585
Brugia malayi	Rhodanese-like domain containing protein	0.0064	0.0074	0.0083
Brugia malayi	Protein-tyrosine phosphatase	0.012	0.0328	0.0369
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.012	0.0328	0.0369
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0052	0.0058
Schistosoma mansoni	protein tyrosine phosphatase	0.012	0.0328	0.0369
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.012	0.0328	0.0369
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.012	0.0328	0.0369
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.012	0.0328	0.0369
Onchocerca volvulus		0.012	0.0328	0.5767
Schistosoma mansoni	receptor protein tyrosine phosphatase n (ia2)	0.012	0.0328	0.0369
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.012	0.0328	0.033
Loa Loa (eye worm)	hypothetical protein	0.012	0.0328	0.0369
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.2036	0.8908	1
Loa Loa (eye worm)	hypothetical protein	0.012	0.0328	0.0369
Echinococcus granulosus	m phase inducer phosphatasecdc25	0.0064	0.0074	0.0074
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.012	0.0328	0.0369
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.012	0.0328	0.0369
Loa Loa (eye worm)	hypothetical protein	0.012	0.0328	0.0369
Onchocerca volvulus		0.0162	0.0515	1
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.012	0.0328	0.0369
Loa Loa (eye worm)	hypothetical protein	0.012	0.0328	0.0369
Loa Loa (eye worm)	hypothetical protein	0.012	0.0328	0.0369
Loa Loa (eye worm)	hypothetical protein	0.012	0.0328	0.0369
Schistosoma mansoni	receptor protein tyrosine phosphatase r (pcptp1)	0.012	0.0328	0.0369
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.0129	0.0366	0.0367
Loa Loa (eye worm)	hypothetical protein	0.012	0.0328	0.0369
Onchocerca volvulus		0.012	0.0328	0.5767
Loa Loa (eye worm)	hypothetical protein	0.012	0.0328	0.0369

Activities

Activity type	Activity value	Assay description	Source	Reference
Kb (binding)	= 8.9 uM	Antagonist at histamine H2 receptor in guinea pig atrium assessed as inhibition of histamine-induced response	ChEMBL.	17751
Kb (binding)	= 10.7 uM	Antagonist at histamine H2 receptor in rat uterus assessed as inhibition of histamine-induced response	ChEMBL.	17751

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: CHEMBL3248396

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 1896774