TDR Targets

Basic information

Technical information

TDR Targets ID: 686322
Name: 1-[[(4-methylphenyl)amino]-phenylmethylidene] -3-prop-2-enylthiourea
MW: 309.429 | Formula: C18H19N3S
H donors: 2 H acceptors: 0 LogP: 4.25 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: C=CCNC(=S)N=C(c1ccccc1)Nc1ccc(cc1)C
InChi: 1S/C18H19N3S/c1-3-13-19-18(22)21-17(15-7-5-4-6-8-15)20-16-11-9-14(2)10-12-16/h3-12H,1,13H2,2H3,(H2,19,20,21,22)
InChiKey: DKTUDVPNCPHKRW-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

3-allyl-1-[[(4-methylphenyl)amino]-phenyl-methylene]thiourea
3-allyl-1-[[(4-methylphenyl)amino]-phenylmethylene]thiourea
1-[[(4-methylphenyl)amino]-phenyl-methylidene]-3-prop-2-enyl-thiourea
ZINC04942578

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	0.0086	0.2953	0.2953
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0022	0.0353	0.4097
Trichomonas vaginalis	glucosylceramidase, putative	0.0166	0.626	0.5907
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0095	0.332	0.332
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0086	0.2953	0.3037
Leishmania major	cytochrome p450-like protein	0.0022	0.0353	1
Brugia malayi	Cytochrome P450 family protein	0.0022	0.0353	0.0353
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0095	0.332	0.3414
Mycobacterium tuberculosis	Bacterioferritin BfrB	0.0035	0.0861	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0497	0.0497
Echinococcus granulosus	serine:threonine protein kinase N2	0.0086	0.2953	0.3037
Schistosoma mansoni	ferritin light chain	0.0035	0.0861	0.1229
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0254	0.984	0.984
Echinococcus granulosus	serine threonine protein kinase nrc	0.0166	0.6263	0.6441
Schistosoma mansoni	apoferritin-2	0.0035	0.0861	0.1229
Entamoeba histolytica	protein kinase, putative	0.025	0.971	0.9589
Schistosoma mansoni	ferritin light chain	0.0035	0.0861	0.1229
Echinococcus multilocularis	expressed protein	0.0035	0.0861	0.0886
Brugia malayi	Protein kinase domain containing protein	0.0086	0.2953	0.2953
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0086	0.2953	0.3037
Echinococcus granulosus	ferritin	0.0035	0.0861	0.0886
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0086	0.2953	0.2953
Echinococcus granulosus	survival motor neuron protein 1	0.0251	0.9724	1
Echinococcus granulosus	protein kinase c iota type	0.0086	0.2953	0.3037
Brugia malayi	Protein kinase domain containing protein	0.0086	0.2953	0.2953
Mycobacterium leprae	PROBABLE BACTERIOFERRITIN BFRA	0.0035	0.0861	1
Echinococcus granulosus	serine/threonine protein kinase	0.0174	0.6553	0.6739
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0086	0.2953	0.3037
Brugia malayi	intermediate filament protein	0.0026	0.0517	0.0517
Echinococcus granulosus	Protein kinase C brain isozyme	0.0086	0.2953	0.3037
Onchocerca volvulus		0.0051	0.1529	0.1763
Trichomonas vaginalis	glucosylceramidase, putative	0.0254	0.984	0.9824
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0086	0.2953	0.3037
Entamoeba histolytica	protein kinase 2, putative	0.0166	0.6263	0.4697
Schistosoma mansoni	apoferritin-2	0.0035	0.0861	0.1229
Trichomonas vaginalis	glucosylceramidase, putative	0.0254	0.984	0.9824
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0095	0.332	0.332
Echinococcus multilocularis	Glutaredoxin protein 5	0.0165	0.6187	0.6363
Trypanosoma cruzi	cytochrome P450, putative	0.0022	0.0353	0.0539
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.1439	0.1439
Trichomonas vaginalis	AGC family protein kinase	0.0257	1	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0254	0.984	0.9824
Schistosoma mansoni	hypothetical protein	0.0051	0.1529	0.2181
Schistosoma mansoni	serine/threonine protein kinase	0.0086	0.2953	0.4211
Echinococcus multilocularis	ferritin	0.0035	0.0861	0.0886
Schistosoma mansoni	hypothetical protein	0.0015	0.0066	0.0094
Echinococcus granulosus	protein kinase C gamma type	0.0086	0.2953	0.3037
Echinococcus multilocularis	serine threonine protein kinase	0.0086	0.2953	0.3037
Trichomonas vaginalis	glucosylceramidase, putative	0.0254	0.984	0.9824
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0174	0.6553	1
Schistosoma mansoni	survival motor neuron protein	0.0051	0.1529	0.2181
Schistosoma mansoni	hypothetical protein	0.0185	0.7011	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0022	0.0353	0.0353
Schistosoma mansoni	serine/threonine protein kinase	0.0086	0.2953	0.4211
Schistosoma mansoni	serine/threonine protein kinase	0.0086	0.2953	0.4211
Echinococcus granulosus	nervana 2	0.0165	0.6187	0.6363
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0086	0.2953	0.2953
Wolbachia endosymbiont of Brugia malayi	bacterioferritin/cytochrome b1	0.0035	0.0861	0.5
Schistosoma mansoni	hypothetical protein	0.0015	0.0066	0.0094
Trichomonas vaginalis	AGC family protein kinase	0.0086	0.2953	0.2288
Trichomonas vaginalis	glucosylceramidase, putative	0.0166	0.626	0.5907
Echinococcus granulosus	lamin	0.0026	0.0517	0.0531
Schistosoma mansoni	lamin	0.0026	0.0517	0.0737
Entamoeba histolytica	protein kinase, putative	0.0257	1	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0254	0.984	0.9824
Echinococcus multilocularis	rac serine:threonine kinase	0.0174	0.6553	0.6739
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0015	0.0066	0.0066
Brugia malayi	protein kinase C II.	0.0086	0.2953	0.2953
Schistosoma mansoni	serine/threonine protein kinase	0.0086	0.2953	0.4211
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0014	0.0012	0.0012
Trichomonas vaginalis	AGC family protein kinase	0.0257	1	1
Echinococcus multilocularis	musashi	0.0026	0.0517	0.0531
Trichomonas vaginalis	AGC family protein kinase	0.0257	1	1
Brugia malayi	hypothetical protein	0.0251	0.9724	0.9724
Echinococcus granulosus	nervana 2	0.0165	0.6187	0.6363
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0166	0.6263	0.6441
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0517	0.0517
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0095	0.332	0.3414
Echinococcus multilocularis	nervana 2	0.0165	0.6187	0.6363
Mycobacterium ulcerans	bacterioferritin BfrA	0.0035	0.0861	1
Onchocerca volvulus	Glucosylceramidase homolog	0.0166	0.626	1
Schistosoma mansoni	serine/threonine kinase	0.0086	0.2953	0.4211
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0015	0.0066	0.0067
Echinococcus multilocularis	survival motor neuron protein 1	0.0251	0.9724	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0066	0.0066
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0254	0.984	0.984
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0086	0.2953	0.3037
Trichomonas vaginalis	glucosylceramidase, putative	0.0166	0.626	0.5907
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0086	0.2953	0.3037
Echinococcus granulosus	expressed protein	0.0035	0.0861	0.0886
Entamoeba histolytica	protein kinase, putative	0.0257	1	1
Trichomonas vaginalis	AGC family protein kinase	0.0257	1	1
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0166	0.6263	0.6441
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0095	0.332	0.4735
Trichomonas vaginalis	glucosylceramidase, putative	0.0175	0.6628	0.631
Plasmodium vivax	rac-beta serine/threonine protein kinase, putative	0.0166	0.6263	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0095	0.332	0.4735
Echinococcus granulosus	GPCR family 2	0.0015	0.0066	0.0067
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.1439	0.1439
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0095	0.332	0.3414
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.1439	0.1439
Plasmodium falciparum	RAC-beta serine/threonine protein kinase	0.0166	0.6263	0.5
Schistosoma mansoni	ferritin	0.0035	0.0861	0.1229
Trichomonas vaginalis	AGC family protein kinase	0.0257	1	1
Brugia malayi	cytoplasmic intermediate filament protein	0.0014	0.0012	0.0012
Schistosoma mansoni	ferritin	0.0035	0.0861	0.1229
Brugia malayi	Cytochrome P450 family protein	0.0022	0.0353	0.0353
Loa Loa (eye worm)	CYP4Cod1	0.0022	0.0353	0.0353
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0257	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0095	0.332	0.4735
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0517	0.0517
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0086	0.2953	0.3037
Trichomonas vaginalis	serine/threonine-protein kinase sgk, putative	0.0084	0.2877	0.2205
Trichomonas vaginalis	AGC family protein kinase	0.0086	0.2953	0.2288
Echinococcus granulosus	intermediate filament protein	0.0026	0.0517	0.0531
Loa Loa (eye worm)	cytochrome P450 family protein	0.0051	0.1537	0.1537
Mycobacterium ulcerans	bacterioferritin BfrB	0.0035	0.0861	1
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0165	0.6187	0.6363
Trypanosoma cruzi	Protein kinase B	0.0174	0.6553	1
Schistosoma mansoni	hypothetical protein	0.0185	0.7011	1
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0086	0.2953	0.3037
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0517	0.0517
Schistosoma mansoni	hypothetical protein	0.0033	0.0803	0.1146
Trichomonas vaginalis	glucosylceramidase, putative	0.0166	0.626	0.5907
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0051	0.1529	0.1529
Trichomonas vaginalis	glucosylceramidase, putative	0.0166	0.626	0.5907
Echinococcus multilocularis	protein kinase c epsilon type	0.0086	0.2953	0.3037
Loa Loa (eye worm)	cytochrome P450 family protein	0.0022	0.0353	0.0353
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0517	0.0737
Schistosoma mansoni	atypical protein kinase C	0.0086	0.2953	0.4211
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0165	0.6187	0.6363
Schistosoma mansoni	serine/threonine protein kinase	0.0086	0.2953	0.4211
Echinococcus granulosus	geminin	0.0185	0.7011	0.721
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0015	0.0066	0.0067
Schistosoma mansoni	serine/threonine-protein kinase	0.0174	0.6553	0.9346
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0086	0.2953	0.2953
Trichomonas vaginalis	glucosylceramidase, putative	0.0254	0.984	0.9824
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.025	0.971	0.971
Trichomonas vaginalis	AGC family protein kinase	0.0257	1	1
Brugia malayi	Cytochrome P450 family protein	0.0051	0.1537	0.1537
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0086	0.2953	0.2953
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0015	0.0066	0.0066
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0015	0.0066	0.0067
Brugia malayi	Hr1 repeat family protein	0.0086	0.2953	0.2953
Loa Loa (eye worm)	hypothetical protein	0.0251	0.9724	0.9724
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0174	0.6553	0.5109
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0803	0.0803
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0015	0.0066	0.0067
Trypanosoma cruzi	cytochrome P450, putative	0.0022	0.0353	0.0539
Giardia lamblia	Kinase, AGC PKA	0.0166	0.6263	0.5
Schistosoma mansoni	hypothetical protein	0.0015	0.0066	0.0094
Echinococcus granulosus	protein kinase c epsilon type	0.0086	0.2953	0.3037
Brugia malayi	Latrophilin receptor protein 2	0.0015	0.0066	0.0066
Mycobacterium tuberculosis	Probable bacterioferritin BfrA	0.0035	0.0861	1
Schistosoma mansoni	lamin	0.0026	0.0517	0.0737
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0803	0.0803
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0257	1	1
Brugia malayi	p70 ribosomal S6 kinase beta	0.025	0.971	0.971
Schistosoma mansoni	serine/threonine protein kinase	0.0086	0.2953	0.4211
Trichomonas vaginalis	glucosylceramidase, putative	0.0166	0.626	0.5907
Treponema pallidum	bacterioferrin (TpF1)	0.0035	0.0861	0.5
Echinococcus granulosus	Glutaredoxin protein 5	0.0165	0.6187	0.6363
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0095	0.332	0.3414
Trichomonas vaginalis	glucosylceramidase, putative	0.0175	0.6628	0.631
Trichomonas vaginalis	AGC family protein kinase	0.0093	0.3243	0.2606
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0086	0.2953	0.3037
Echinococcus multilocularis	nervana 2	0.0165	0.6187	0.6363
Schistosoma mansoni	hypothetical protein	0.0015	0.0066	0.0094
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0166	0.6263	0.9558
Echinococcus multilocularis	lamin	0.0026	0.0517	0.0531
Echinococcus multilocularis	lamin dm0	0.0026	0.0517	0.0531
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0517	0.0517
Echinococcus multilocularis	geminin	0.0185	0.7011	0.721
Trypanosoma brucei	cytochrome P450, putative	0.0022	0.0353	0.0353
Echinococcus granulosus	NDR protein kinase	0.0086	0.2953	0.3037
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0086	0.2953	0.3037
Echinococcus granulosus	lamin dm0	0.0026	0.0517	0.0531
Schistosoma mansoni	ferritin	0.0035	0.0861	0.1229
Schistosoma mansoni	serine/threonine protein kinase	0.0086	0.2953	0.4211
Trichomonas vaginalis	AGC family protein kinase	0.0086	0.2953	0.2288
Trichomonas vaginalis	AGC family protein kinase	0.0257	1	1
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0174	0.6553	0.5109
Echinococcus multilocularis	GPCR, family 2	0.0015	0.0066	0.0067
Echinococcus multilocularis	protein kinase c iota type	0.0086	0.2953	0.3037
Schistosoma mansoni	ferritin	0.0035	0.0861	0.1229
Trichomonas vaginalis	glucosylceramidase, putative	0.0166	0.626	0.5907
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0086	0.2953	0.2953
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0086	0.2953	0.2953
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1439	0.1439
Toxoplasma gondii	AGC kinase	0.025	0.971	1
Schistosoma mansoni	serine/threonine-protein kinase	0.0174	0.6553	0.9346

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 686322