TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 469.042 | Formula: C25H29ClN4OS
H donors: 0 H acceptors: 2 LogP: 5.22 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: C=CCn1c(nnc1C1CCN(CC1)Cc1ccc(cc1)OC)SCc1cccc(c1)Cl
InChi: 1S/C25H29ClN4OS/c1-3-13-30-24(27-28-25(30)32-18-20-5-4-6-22(26)16-20)21-11-14-29(15-12-21)17-19-7-9-23(31-2)10-8-19/h3-10,16,21H,1,11-15,17-18H2,2H3
InChiKey: GPHXTQXMTKJYSG-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
Loa Loa (eye worm)	prenyltransferase and squalene oxidase repeat family protein	0.003	0.0125	0.021
Echinococcus granulosus	protein farnesyltransferase alpha subunit	0.0157	0.4646	1
Trypanosoma cruzi	prolyl endopeptidase	0.0106	0.2823	0.2847
Schistosoma mansoni	protein farnesyltransferase subunit beta	0.011	0.296	0.627
Echinococcus granulosus	kelch ECH associated protein 1	0.0036	0.0334	0.0462
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.015	0.4409	0.7153
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0308	1	1
Plasmodium vivax	conserved Plasmodium protein, unknown function	0.008	0.1904	0.3936
Loa Loa (eye worm)	hypothetical protein	0.0193	0.594	1
Plasmodium falciparum	protein farnesyltransferase subunit alpha	0.0157	0.4646	1
Leishmania major	prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative	0.0106	0.2823	0.2755
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0308	1	1
Entamoeba histolytica	protein farnesyltransferase alpha subunit, putative	0.0157	0.4646	0.4578
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.015	0.4409	0.9197
Trichomonas vaginalis	synaptic glycoprotein sc2, putative	0.0064	0.1332	0.1223
Entamoeba histolytica	protein farnesyltransferase beta subunit, putative	0.011	0.296	0.2871
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0308	1	1
Entamoeba histolytica	trans-2,3-enoyl-CoA reductase, putative	0.0064	0.1332	0.1223
Mycobacterium tuberculosis	Probable peptidase	0.0042	0.0562	0.0939
Toxoplasma gondii	hypothetical protein	0.0049	0.0819	0.1194
Brugia malayi	3-oxo-5-alpha-steroid 4-dehydrogenase 1	0.0193	0.594	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0125	0.021
Trypanosoma cruzi	geranylgeranyl transferase type II beta subunit, putative	0.003	0.0125	0.0126
Trypanosoma brucei	protein farnesyltransferase beta subunit	0.011	0.296	0.2895
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0308	1	1
Giardia lamblia	Fructose-bisphosphate aldolase	0.0308	1	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0308	1	1
Echinococcus granulosus	geranylgeranyl transferase type 2 subunit alpha	0.0041	0.0515	0.0864
Echinococcus granulosus	3 oxo 5 alpha steroid 4 dehydrogenase C terminal	0.0064	0.1332	0.267
Trypanosoma cruzi	lanosterol synthase, putative	0.003	0.0125	0.0126
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0052	0.0929	0.0936
Leishmania major	oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein	0.0042	0.0562	0.0447
Entamoeba histolytica	steroid 5-alpha reductase, putative	0.0193	0.594	0.5889
Schistosoma mansoni	thyroid hormone receptor	0.0134	0.3818	0.8169
Echinococcus multilocularis	kelch ECH associated protein 1	0.0036	0.0334	0.0462
Schistosoma mansoni	hypothetical protein	0.0036	0.0337	0.047
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1332	0.2243
Mycobacterium ulcerans	hypothetical protein	0.0161	0.4783	0.7848
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0308	1	1
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.0041	0.0515	0.0395
Toxoplasma gondii	3-oxo-5-alpha-steroid 4-dehydrogenase	0.0193	0.594	1
Trypanosoma cruzi	lanosterol synthase, putative	0.003	0.0125	0.0126
Echinococcus multilocularis	synaptic glycoprotein sc2	0.0064	0.1332	0.267
Trypanosoma cruzi	protein farnesyltransferase alpha subunit, putative	0.0041	0.0515	0.052
Trypanosoma cruzi	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0193	0.594	0.599
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0134	0.3818	0.8169
Echinococcus granulosus	prolyl endopeptidase	0.0106	0.2823	0.5967
Mycobacterium tuberculosis	Probable protease II PtrBb [second part] (oligopeptidase B)	0.0042	0.0562	0.0939
Trypanosoma brucei	Protein prenyltransferase alpha subunit repeat, putative	0.0041	0.0515	0.0399
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0308	1	1
Loa Loa (eye worm)	prenyltransferase and squalene oxidase repeat family protein	0.011	0.296	0.4982
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0193	0.594	0.5889
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0193	0.594	0.5889
Echinococcus multilocularis	protein prenyltransferase alpha subunit	0.0041	0.0515	0.0864
Loa Loa (eye worm)	hypothetical protein	0.0157	0.4646	0.7821
Schistosoma mansoni	protein farnesyltransferase alpha subunit	0.0157	0.4646	1
Echinococcus multilocularis	protein farnesyltransferase subunit beta	0.011	0.296	0.627
Trichomonas vaginalis	geranylgeranyl transferase type I beta subunit, putative	0.011	0.296	0.2871
Loa Loa (eye worm)	hypothetical protein	0.003	0.0125	0.021
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0145	0.4203	0.4165
Toxoplasma gondii	hypothetical protein	0.0041	0.0515	0.0671
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0193	0.594	0.5889
Trypanosoma cruzi	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0193	0.594	0.599
Trichomonas vaginalis	geranylgeranyl transferase type II beta subunit, putative	0.011	0.296	0.2871
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0145	0.4203	0.4239
Echinococcus granulosus	protein farnesyltransferase subunit beta	0.011	0.296	0.627
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0043	0.0595	0.06
Leishmania major	farnesyltransferase beta subunit	0.011	0.296	0.2895
Plasmodium vivax	farnesyltransferase beta subunit, putative	0.011	0.296	0.627
Giardia lamblia	Prenyltransferase	0.011	0.296	0.2871
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0308	1	1
Trypanosoma brucei	prolyl oligopeptidase, putative	0.0042	0.0562	0.0447
Trypanosoma cruzi	oligopeptidase B-like protein, putative	0.0042	0.0562	0.0567
Trypanosoma brucei	hypothetical protein, conserved	0.0041	0.0515	0.0399
Trypanosoma cruzi	Protein prenyltransferase alpha subunit repeat, putative	0.0041	0.0515	0.052
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0043	0.0595	0.06
Schistosoma mansoni	synaptic glycoprotein sc2 related	0.0064	0.1332	0.267
Giardia lamblia	Rab geranylgeranyltransferase	0.0157	0.4646	0.4578
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0043	0.0595	0.048
Echinococcus multilocularis	Kelch repeat type 1	0.0036	0.0337	0.047
Trichomonas vaginalis	type I geranylgeranyltransferase beta subunit, putative	0.011	0.296	0.2871
Brugia malayi	prolyl oligopeptidase family protein	0.0106	0.2823	0.4639
Trypanosoma brucei	serine peptidase, clan SC, family S9A-like protein	0.0042	0.0562	0.0447
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.015	0.4409	1
Trichomonas vaginalis	geranylgeranyl transferase type beta subunit, putative	0.011	0.296	0.2871
Trichomonas vaginalis	conserved hypothetical protein	0.0064	0.1332	0.1223
Plasmodium falciparum	polyprenol reductase, putative	0.0064	0.1332	0.267
Toxoplasma gondii	prolyl endopeptidase	0.0106	0.2823	0.4639
Echinococcus granulosus	synaptic glycoprotein sc2	0.0064	0.1332	0.267
Echinococcus multilocularis	protein farnesyltransferase alpha subunit	0.0157	0.4646	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0515	0.052
Trypanosoma cruzi	oligopeptidase b	0.0042	0.0562	0.0567
Toxoplasma gondii	prenyltransferase and squalene oxidase repeat-containing protein	0.011	0.296	0.4875
Trypanosoma cruzi	protein farnesyltransferase, putative	0.011	0.296	0.2985
Plasmodium vivax	polyprenol reductase, putative	0.0064	0.1332	0.267
Echinococcus multilocularis	geranylgeranyl transferase type 2 subunit alpha	0.0041	0.0515	0.0864
Onchocerca volvulus		0.0064	0.1332	0.354
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.0157	0.4646	0.4578
Echinococcus granulosus	kelch ECH associated protein 1 like	0.0036	0.0334	0.0462
Schistosoma mansoni	thyroid hormone receptor	0.0134	0.3818	0.8169
Entamoeba histolytica	3-oxo-5-alpha-steroid 4-dehydrogenase domain-containing protein	0.0064	0.1332	0.1223
Trypanosoma brucei	protein farnesyltransferase alpha subunit, putative	0.0041	0.0515	0.0399
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0305	0.9916	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0161	0.4783	1
Trypanosoma cruzi	hypothetical protein, conserved	0.003	0.0125	0.0126
Toxoplasma gondii	3-oxo-5-alpha-steroid 4-dehydrogenase	0.0064	0.1332	0.2076
Brugia malayi	Protein prenyltransferase alpha subunit repeat containing protein	0.0041	0.0515	0.0671
Trichomonas vaginalis	protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative	0.0116	0.32	0.3114
Brugia malayi	Prenyltransferase and squalene oxidase repeat family protein	0.011	0.296	0.4875
Leishmania major	protein farnesyltransferase alpha subunit, putative	0.0041	0.0515	0.0399
Toxoplasma gondii	3-oxo-5-alpha-steroid 4-dehydrogenase	0.0064	0.1332	0.2076
Trichomonas vaginalis	protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative	0.0157	0.4646	0.4578
Entamoeba histolytica	Rab geranylgeranyltransferase alpha subunit, putative	0.0041	0.0515	0.0395
Loa Loa (eye worm)	hypothetical protein	0.0106	0.2823	0.4752
Trichomonas vaginalis	geranylgeranyl transferase type II beta subunit, putative	0.011	0.296	0.2871
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0124	0.3465	0.7389
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0145	0.4203	0.4165
Plasmodium falciparum	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0064	0.1332	0.267
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0308	1	1
Leishmania major	3-oxo-5-alpha-steroid 4-dehydrogenase-like protein	0.0193	0.594	0.5939
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1332	0.2243
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0124	0.3465	0.7389
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0515	0.052
Echinococcus multilocularis	kelch ECH associated protein 1	0.0036	0.0334	0.0462
Trichomonas vaginalis	conserved hypothetical protein	0.0064	0.1332	0.1223
Echinococcus granulosus	protein prenyltransferase alpha subunit	0.0041	0.0515	0.0864
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0106	0.2823	0.5967
Schistosoma mansoni	synaptic glycoprotein sc2 related	0.0064	0.1332	0.267
Plasmodium vivax	prenyltransferase alpha subunit, putative	0.0157	0.4646	1
Trichomonas vaginalis	geranylgeranyl transferase type II beta subunit, putative	0.011	0.296	0.2871
Plasmodium falciparum	geranylgeranyl transferase type-2 subunit alpha, putative	0.0041	0.0515	0.0864
Leishmania major	oligopeptidase b	0.0042	0.0562	0.0447
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.0157	0.4646	0.4578
Trypanosoma brucei	Protein prenyltransferase alpha subunit repeat, putative	0.0041	0.0515	0.0399
Brugia malayi	Synaptic glycoprotein SC2	0.0064	0.1332	0.2076
Giardia lamblia	Rab geranylgeranyltransferase	0.0041	0.0515	0.0395
Trypanosoma brucei	3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative	0.0193	0.594	0.5939
Plasmodium vivax	protein prenyltransferase alpha subunit, putative	0.0041	0.0515	0.0864
Trypanosoma brucei	prolyl endopeptidase	0.0106	0.2823	0.2755
Echinococcus granulosus	kelch ECH associated protein 1 like	0.0036	0.0334	0.0462
Echinococcus multilocularis	prolyl endopeptidase	0.0106	0.2823	0.5967
Schistosoma mansoni	hypothetical protein	0.0124	0.3465	0.7389
Entamoeba histolytica	hypothetical protein	0.0064	0.1332	0.1223
Loa Loa (eye worm)	prenyltransferase alpha subunit repeat containing protein	0.0041	0.0515	0.0868
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0043	0.0595	0.06
Trypanosoma brucei	oligopeptidase b	0.0042	0.0562	0.0447
Treponema pallidum	fructose-bisphosphate aldolase	0.0308	1	0.5
Plasmodium vivax	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0064	0.1332	0.267
Trypanosoma cruzi	serine peptidase, clan SC, family S9A-like protein, putative	0.0042	0.0562	0.0567
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0305	0.9916	1
Trichomonas vaginalis	synaptic glycoprotein sc2, putative	0.0064	0.1332	0.1223
Loa Loa (eye worm)	prenyltransferase alpha subunit repeat containing protein	0.0157	0.4646	0.7821
Trypanosoma cruzi	hypothetical protein, conserved	0.003	0.0125	0.0126
Onchocerca volvulus	Prolyl endopeptidase homolog	0.0106	0.2823	1
Giardia lamblia	Synaptic glycoprotein SC2	0.0064	0.1332	0.1223
Mycobacterium tuberculosis	Probable protease II PtrBa [first part] (oligopeptidase B)	0.0095	0.2429	0.4947
Leishmania major	mitochondrial DNA polymerase beta	0.0305	0.9916	1
Echinococcus multilocularis	3 oxo 5 alpha steroid 4 dehydrogenase, C terminal	0.0064	0.1332	0.267
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0106	0.2823	0.5967
Plasmodium falciparum	protein farnesyltransferase subunit beta	0.011	0.296	0.627
Trypanosoma cruzi	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0064	0.1332	0.1344
Brugia malayi	Protein prenyltransferase alpha subunit repeat containing protein	0.0157	0.4646	0.7774
Trichomonas vaginalis	synaptic glycoprotein sc2, putative	0.0064	0.1332	0.1223
Trypanosoma cruzi	oligopeptidase b	0.0042	0.0562	0.0567
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0064	0.1332	0.1223
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0305	0.9916	1
Mycobacterium ulcerans	hypothetical protein	0.0193	0.594	1
Trypanosoma cruzi	protein farnesyltransferase, putative	0.011	0.296	0.2985
Toxoplasma gondii	hypothetical protein	0.0116	0.32	0.5288
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0041	0.0515	0.0864
Trypanosoma brucei	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0064	0.1332	0.1233
Trypanosoma cruzi	protein farnesyltransferase alpha subunit, putative	0.0041	0.0515	0.052

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 904624