TDR Targets

Basic information

Technical information

TDR Targets ID: 998198
Name: [3-(4-phenylbutoxy)phenyl]thiourea
MW: 300.419 | Formula: C17H20N2OS
H donors: 2 H acceptors: 0 LogP: 3.77 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: NC(=S)Nc1cccc(c1)OCCCCc1ccccc1
InChi: 1S/C17H20N2OS/c18-17(21)19-15-10-6-11-16(13-15)20-12-5-4-9-14-7-2-1-3-8-14/h1-3,6-8,10-11,13H,4-5,9,12H2,(H3,18,19,21)
InChiKey: CWCQKDPUVJUVBN-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

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
Leishmania major	macrophage migration inhibitory factor-like protein	0.0381	0.9959	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.1007	0.0862
Schistosoma mansoni	chaperonin containing t-complex protein 1 beta subunit tcpb	0.0026	0.0349	0.0194
Trichomonas vaginalis	conserved hypothetical protein	0.0381	0.9959	1
Brugia malayi	Latrophilin receptor protein 2	0.0095	0.2227	0.2102
Trypanosoma cruzi	T-complex protein 1, beta subunit, putative	0.0026	0.0349	0.0255
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.005	0.1007	0.0862
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0499	0.0346
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0155	0.385	1
Loa Loa (eye worm)	TAR-binding protein	0.0383	1	1
Loa Loa (eye worm)	macrophage migration inhibitory factor 2	0.0183	0.4609	0.4523
Schistosoma mansoni	tar DNA-binding protein	0.0383	1	1
Trichomonas vaginalis	chaperonin, putative	0.0026	0.0349	0.0194
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0301	0.7798	0.7762
Schistosoma mansoni	tar DNA-binding protein	0.0383	1	1
Schistosoma mansoni	hypothetical protein	0.0171	0.4285	0.4193
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0158	0.0207
Trypanosoma brucei	T-complex protein 1, beta subunit, putative	0.0026	0.0349	0.0457
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.1007	0.0862
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.005	0.1007	0.0862
Echinococcus multilocularis	GPCR, family 2	0.0095	0.2227	0.2102
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0067	0.1451	0.3503
Giardia lamblia	Macrophage migration inhibitory factor	0.0381	0.9959	1
Brugia malayi	TAR-binding protein	0.0383	1	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0295	0.7625	1
Echinococcus granulosus	tar DNA binding protein	0.0383	1	1
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0067	0.1451	0.3503
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.1007	0.0862
Echinococcus granulosus	GPCR family 2	0.0095	0.2227	0.2102
Schistosoma mansoni	hypothetical protein	0.0171	0.4285	0.4193
Brugia malayi	Thyroglobulin type-1 repeat family protein	0.0031	0.0499	0.0346
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0499	0.0346
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.014	0.3423	0.4373
Brugia malayi	T-complex protein 1, beta subunit	0.0026	0.0349	0.0194
Brugia malayi	Thyroglobulin type-1 repeat family protein	0.0031	0.0499	0.0346
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0301	0.7798	0.7762
Loa Loa (eye worm)	hypothetical protein	0.0095	0.2227	0.2102
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0067	0.1451	0.1319
Mycobacterium ulcerans	hypothetical protein	0.0155	0.385	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0067	0.1451	0.3503
Loa Loa (eye worm)	macrophage migration inhibitory factor 2	0.0183	0.4609	0.4523
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.1007	0.0862
Plasmodium vivax	macrophage migration inhibitory factor, putative	0.0381	0.9959	1
Schistosoma mansoni	hypothetical protein	0.0206	0.5219	0.5142
Schistosoma mansoni	tar DNA-binding protein	0.0383	1	1
Loa Loa (eye worm)	thyroglobulin type-1 repeat family protein	0.0031	0.0499	0.0346
Schistosoma mansoni	hypothetical protein	0.0095	0.2227	0.2102
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0295	0.7625	1
Echinococcus granulosus	geminin	0.0171	0.4285	0.4193
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0041	0.077	0.0819
Trichomonas vaginalis	macrophage migration inhibitory factor, mif, putative	0.0381	0.9959	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0158	0.0207
Echinococcus multilocularis	chaperonin containing TCP1, subunit 2 (beta)	0.0026	0.0349	0.0194
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0158	0.0207
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0095	0.2227	0.2102
Loa Loa (eye worm)	T-complex protein 1	0.0026	0.0349	0.0194
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.014	0.3423	0.3331
Loa Loa (eye worm)	RNA binding protein	0.0383	1	1
Giardia lamblia	TCP-1 chaperonin subunit beta	0.0026	0.0349	0.0194
Schistosoma mansoni	aldehyde dehydrogenase	0.0067	0.1451	0.1314
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0158	0.0207
Schistosoma mansoni	chaperonin containing t-complex protein 1 beta subunit tcpb	0.0026	0.0349	0.0194
Plasmodium falciparum	macrophage migration inhibitory factor	0.0381	0.9959	1
Leishmania major	mitochondrial DNA polymerase beta	0.0295	0.7625	0.7618
Brugia malayi	RNA recognition motif domain containing protein	0.0383	1	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0158	0.0207
Loa Loa (eye worm)	hypothetical protein	0.0198	0.5008	0.4928
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0158	0.0207
Entamoeba histolytica	T-complex protein 1 beta subunit, putative	0.0026	0.0349	0.0194
Leishmania major	T-complex protein 1, beta subunit, putative	0.0026	0.0349	0.0194
Brugia malayi	Bm-MIF-1, identical	0.0381	0.9959	0.9959
Schistosoma mansoni	tar DNA-binding protein	0.0383	1	1
Echinococcus granulosus	chaperonin containing TCP1 subunit 2 beta	0.0026	0.0349	0.0194
Brugia malayi	N-terminal motif family protein	0.0198	0.5008	0.4928
Trypanosoma brucei	DNA polymerase eta, putative	0.0019	0.0158	0.0207
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0301	0.7798	0.7762
Brugia malayi	Thyroglobulin type-1 repeat family protein	0.0031	0.0499	0.0346
Leishmania major	macrophage migration inhibitory factor-like protein	0.0381	0.9959	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0095	0.2227	0.2102
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0158	0.0207
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0158	0.0207
Schistosoma mansoni	chaperonin containing t-complex protein 1 beta subunit tcpb	0.0026	0.0349	0.0194
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0041	0.077	0.101
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0295	0.7625	1
Toxoplasma gondii	macrophage migration inhibitory factor, putative	0.0381	0.9959	1
Brugia malayi	secreted modular calcium-binding protein 1	0.0031	0.0499	0.0346
Schistosoma mansoni	hypothetical protein	0.0095	0.2227	0.2102
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0198	0.5008	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0158	0.0207
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0095	0.2227	0.2102
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.014	0.3423	0.449
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0067	0.1451	0.1314
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0383	1	1
Schistosoma mansoni	hypothetical protein	0.0095	0.2227	0.2102
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0158	0.0207
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0499	0.0346
Brugia malayi	T-complex protein 1, beta subunit	0.0026	0.0349	0.0194
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0067	0.1451	0.1314
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0041	0.077	0.0819
Loa Loa (eye worm)	macrophage migration inhibitory factor	0.0381	0.9959	0.9959
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0041	0.077	0.0819
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0158	0.0207
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0158	0.0207
Loa Loa (eye worm)	thyroglobulin type-1 repeat family protein	0.0031	0.0499	0.0346
Loa Loa (eye worm)	hypothetical protein	0.0206	0.5219	0.5142
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.1007	0.0862
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.1007	0.0862
Toxoplasma gondii	aldehyde dehydrogenase	0.0067	0.1451	0.1147
Echinococcus multilocularis	geminin	0.0171	0.4285	0.4193
Brugia malayi	latrophilin 2 splice variant baaae	0.0206	0.5219	0.5142
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0095	0.2227	0.2102
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.1007	0.0862
Toxoplasma gondii	hypothetical protein	0.0048	0.0935	0.061
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0067	0.1451	0.3503
Schistosoma mansoni	hypothetical protein	0.0095	0.2227	0.2102
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0158	0.0207
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0095	0.2227	0.2102
Schistosoma mansoni	aldehyde dehydrogenase	0.0067	0.1451	0.1314
Trypanosoma brucei	unspecified product	0.0019	0.0158	0.0207
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0499	0.0346
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0051	0.1015	0.1148
Trichomonas vaginalis	chaperonin-60kD, ch60, putative	0.0026	0.0349	0.0194
Entamoeba histolytica	macrophage migration inhibitory factor-like protein	0.0381	0.9959	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0095	0.2227	0.2102
Schistosoma mansoni	tar DNA-binding protein	0.0383	1	1
Echinococcus multilocularis	tar DNA binding protein	0.0383	1	1
Loa Loa (eye worm)	hypothetical protein	0.0301	0.7798	0.7762

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: CHEMBL493959

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 998198