TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 437.551 | Formula: C25H27NO4S
H donors: 0 H acceptors: 1 LogP: 4.67 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(N1CCOc2c(C1)cc(cc2OC1COCC1)c1csc2c1cccc2)C(C)C
InChi: 1S/C25H27NO4S/c1-16(2)25(27)26-8-10-29-24-18(13-26)11-17(12-22(24)30-19-7-9-28-14-19)21-15-31-23-6-4-3-5-20(21)23/h3-6,11-12,15-16,19H,7-10,13-14H2,1-2H3
InChiKey: KRSANMGBGPTRHF-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
Trichomonas vaginalis	AGC family protein kinase	0.0123	0.0821	1
Echinococcus multilocularis	protein kinase c eta type	0.0087	0.052	0.036
Echinococcus granulosus	unc 13 munc13	0.0105	0.0671	0.0514
Echinococcus granulosus	N chimaerin	0.0087	0.052	0.036
Entamoeba histolytica	hypothetical protein	0.0087	0.052	0.0641
Trichomonas vaginalis	AGC family protein kinase	0.0123	0.0821	1
Schistosoma mansoni	serine/threonine kinase	0.0123	0.0821	0.0666
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0123	0.0821	0.0666
Echinococcus multilocularis	guanine nucleotide exchange factor VAV2	0.0087	0.052	0.036
Schistosoma mansoni	serine/threonine protein kinase	0.009	0.0542	0.0383
Echinococcus multilocularis	myotubularin protein 13	0.0087	0.052	0.036
Schistosoma mansoni	unc-13 (munc13)	0.0105	0.0671	0.0514
Schistosoma mansoni	plexin	0.0062	0.0313	0.0149
Echinococcus granulosus	Diacylglycerol kinase theta	0.0087	0.052	0.036
Onchocerca volvulus		0.0087	0.052	0.6812
Brugia malayi	RhoGAP domain containing protein	0.0087	0.052	0.036
Schistosoma mansoni	serine/threonine protein kinase	0.009	0.0542	0.0383
Brugia malayi	Protein kinase domain containing protein	0.0123	0.0821	0.0666
Schistosoma mansoni	diacylglycerol kinase theta	0.0087	0.052	0.036
Schistosoma mansoni	serine/threonine protein kinase	0.0123	0.0821	0.0666
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0123	0.0821	0.0666
Brugia malayi	diacylglycerol kinase	0.0087	0.052	0.036
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0229	0.1699	0.1559
Brugia malayi	Phorbol esters/diacylglycerol binding domain	0.009	0.0542	0.0383
Schistosoma mansoni	hypothetical protein	0.0062	0.0313	0.0149
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0123	0.0821	0.0666
Entamoeba histolytica	protein kinase, putative	0.0123	0.0821	0.1012
Loa Loa (eye worm)	hypothetical protein	0.0087	0.052	0.036
Loa Loa (eye worm)	hypothetical protein	0.0123	0.0821	0.0666
Schistosoma mansoni	plexin	0.0107	0.0686	0.0528
Echinococcus granulosus	C2 calcium dependent membrane targeting	0.0105	0.0671	0.0514
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.009	0.0542	0.0383
Loa Loa (eye worm)	hypothetical protein	0.0087	0.052	0.036
Brugia malayi	C1-like domain containing protein	0.009	0.0542	0.0383
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.1224	1	1
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0123	0.0821	0.0666
Schistosoma mansoni	serine/threonine protein kinase	0.0229	0.1699	0.1559
Loa Loa (eye worm)	hypothetical protein	0.0087	0.052	0.036
Schistosoma mansoni	atypical protein kinase C	0.021	0.1548	0.1406
Echinococcus multilocularis	Rac GTPase activating protein 1	0.0087	0.052	0.036
Brugia malayi	diacylglycerol kinase	0.0087	0.052	0.036
Schistosoma mansoni	protein kinase C mu	0.009	0.0542	0.0383
Trichomonas vaginalis	AGC family protein kinase	0.0123	0.0821	1
Echinococcus granulosus	Protein kinase C brain isozyme	0.0229	0.1699	0.1559
Onchocerca volvulus		0.0105	0.0671	0.9718
Onchocerca volvulus		0.0107	0.0686	1
Brugia malayi	Hr1 repeat family protein	0.0123	0.0821	0.0666
Trichomonas vaginalis	AGC family protein kinase	0.0123	0.0821	1
Echinococcus granulosus	serine:threonine protein kinase N2	0.0123	0.0821	0.0666
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0123	0.0821	0.0666
Schistosoma mansoni	hypothetical protein	0.0087	0.052	0.036
Entamoeba histolytica	protein kinase, putative	0.0123	0.0821	0.1012
Brugia malayi	Protein kinase domain containing protein	0.0123	0.0821	0.0666
Echinococcus granulosus	Rac GTPase activating protein 1	0.0087	0.052	0.036
Echinococcus multilocularis	serine threonine protein kinase	0.0141	0.0972	0.082
Loa Loa (eye worm)	hypothetical protein	0.0087	0.052	0.036
Brugia malayi	RhoGEF domain containing protein	0.0087	0.052	0.036
Brugia malayi	Protein kinase c protein 2	0.0108	0.0693	0.0536
Trichomonas vaginalis	AGC family protein kinase	0.0123	0.0821	1
Schistosoma mansoni	protein kinase C	0.0105	0.0671	0.0514
Echinococcus granulosus	Serine/threonine-protein kinase Genghis Khan	0.009	0.0542	0.0383
Loa Loa (eye worm)	plexin A	0.0127	0.0849	0.0695
Echinococcus granulosus	serine:threonine protein kinase N2	0.0998	0.8116	0.8084
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0123	0.0821	0.0666
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0123	0.0821	0.0666
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0123	0.0821	0.0666
Brugia malayi	protein kinase C3,putative	0.009	0.0542	0.0383
Echinococcus granulosus	protein kinase c epsilon type	0.1224	1	1
Brugia malayi	p70 ribosomal S6 kinase beta	0.0123	0.0821	0.0666
Schistosoma mansoni	rac gtpase activating protein	0.0087	0.052	0.036
Echinococcus granulosus	guanine nucleotide exchange factor VAV2	0.0087	0.052	0.036
Loa Loa (eye worm)	hypothetical protein	0.0087	0.052	0.036
Brugia malayi	Variant SH3 domain containing protein	0.0087	0.052	0.036
Loa Loa (eye worm)	hypothetical protein	0.0087	0.052	0.036
Entamoeba histolytica	protein kinase, putative	0.0123	0.0821	0.1012
Trichomonas vaginalis	AGC family protein kinase	0.0123	0.0821	1
Echinococcus granulosus	plexin a4	0.0127	0.0849	0.0695
Brugia malayi	Ras association domain family 1 isoform A	0.0087	0.052	0.036
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0087	0.052	0.036
Schistosoma mansoni	serine/threonine protein kinase	0.1224	1	1
Brugia malayi	plexin A	0.0127	0.0849	0.0695
Trichomonas vaginalis	AGC family protein kinase	0.0123	0.0821	1
Loa Loa (eye worm)	hypothetical protein	0.0087	0.052	0.036
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0123	0.0821	0.0666
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0087	0.052	0.036
Brugia malayi	Pleckstrin Homology Domain	0.0087	0.052	0.036
Schistosoma mansoni	diacylglycerol kinase theta	0.0087	0.052	0.036
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0087	0.052	0.036
Echinococcus multilocularis	unc 13 (munc13)	0.0105	0.0671	0.0514
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0123	0.0821	0.5
Brugia malayi	Protein kinase domain containing protein	0.0123	0.0821	0.0666
Loa Loa (eye worm)	RhoGAP domain-containing protein	0.0087	0.052	0.036
Loa Loa (eye worm)	Ras association domain family 1 isoform A	0.0087	0.052	0.036
Entamoeba histolytica	diacylglycerol kinase, putative	0.0087	0.052	0.0641
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0123	0.0821	0.0666
Onchocerca volvulus		0.0087	0.052	0.6812
Echinococcus multilocularis	serine:threonine protein kinase MRCK beta	0.009	0.0542	0.0383
Loa Loa (eye worm)	hypothetical protein	0.0105	0.0671	0.0514
Trichomonas vaginalis	AGC family protein kinase	0.0123	0.0821	1
Schistosoma mansoni	protein kinase C mu	0.0087	0.052	0.036
Echinococcus granulosus	protein kinase C gamma type	0.0141	0.0972	0.082
Entamoeba histolytica	protein kinase, putative	0.0123	0.0821	0.1012
Loa Loa (eye worm)	hypothetical protein	0.0087	0.052	0.036
Echinococcus multilocularis	protein kinase c epsilon type	0.1224	1	1
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0686	0.0528
Brugia malayi	Plexin repeat family protein	0.0107	0.0686	0.0528
Schistosoma mansoni	serine/threonine protein kinase	0.0123	0.0821	0.0666
Echinococcus multilocularis	N chimaerin	0.0087	0.052	0.036
Loa Loa (eye worm)	hypothetical protein	0.0087	0.052	0.036
Echinococcus multilocularis	raf serine:threonine protein kinase	0.0092	0.0564	0.0404
Loa Loa (eye worm)	hypothetical protein	0.0087	0.052	0.036
Echinococcus granulosus	protein kinase c iota type	0.021	0.1548	0.1406
Trichomonas vaginalis	AGC family protein kinase	0.0123	0.0821	1
Echinococcus granulosus	myotubularin protein 13	0.0087	0.052	0.036
Echinococcus granulosus	NDR protein kinase	0.0123	0.0821	0.0666
Trichomonas vaginalis	AGC family protein kinase	0.0123	0.0821	1
Echinococcus multilocularis	plexin a4	0.0127	0.0849	0.0695
Echinococcus multilocularis	serine:threonine protein kinase N2	0.1118	0.9122	0.9107
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0313	0.0149
Loa Loa (eye worm)	hypothetical protein	0.0087	0.052	0.036
Brugia malayi	RhoGAP domain containing protein	0.0087	0.052	0.036
Loa Loa (eye worm)	RasGEF domain-containing protein	0.0087	0.052	0.036
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0123	0.0821	0.0666
Schistosoma mansoni	serine/threonine protein kinase	0.0092	0.0564	0.0404
Schistosoma mansoni	serine/threonine protein kinase	0.0123	0.0821	0.0666
Echinococcus granulosus	raf serine:threonine protein kinase	0.0092	0.0564	0.0404
Echinococcus granulosus	protein kinase c eta type	0.0087	0.052	0.036
Schistosoma mansoni	serine/threonine protein kinase	0.0123	0.0821	0.0666
Brugia malayi	Protein kinase domain containing protein	0.009	0.0542	0.0383
Schistosoma mansoni	vav2	0.0087	0.052	0.036
Loa Loa (eye worm)	raf kinase	0.0087	0.052	0.036
Trichomonas vaginalis	AGC family protein kinase	0.0123	0.0821	1
Schistosoma mansoni	serine/threonine protein kinase	0.0229	0.1699	0.1559
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0123	0.0821	0.0666
Schistosoma mansoni	unc-13 (munc13)	0.0105	0.0671	0.0514
Echinococcus multilocularis	Diacylglycerol kinase theta	0.0087	0.052	0.036
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0123	0.0821	0.0666
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0123	0.0821	0.0666
Toxoplasma gondii	AGC kinase	0.0123	0.0821	1
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0123	0.0821	0.0666
Entamoeba histolytica	diacylglycerol kinase, putative	0.0087	0.052	0.0641
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0998	0.8116	1
Loa Loa (eye worm)	AGC/PKC/IOTA protein kinase	0.009	0.0542	0.0383
Echinococcus multilocularis	C2 calcium dependent membrane targeting	0.0105	0.0671	0.0514
Echinococcus multilocularis	protein kinase c iota type	0.021	0.1548	0.1406

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 807018