TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 429.529 | Formula: C23H27NO5S
H donors: 0 H acceptors: 3 LogP: 3.79 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc2c(c1)C1CC(O2)(C)N(C(=O)C1S(=O)(=O)c1ccc(cc1)C(C)C)C
InChi: 1S/C23H27NO5S/c1-14(2)15-6-9-17(10-7-15)30(26,27)21-19-13-23(3,24(4)22(21)25)29-20-11-8-16(28-5)12-18(19)20/h6-12,14,19,21H,13H2,1-5H3
InChiKey: SLJZKUWMQWWDMC-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	CAMK family protein kinase	0.0046	0.0088	0.0113
Echinococcus multilocularis	microtubule associated protein 2	0.0682	0.3895	0.3895
Trypanosoma cruzi	aminopeptidase, putative	0.0043	0.0071	0.0686
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0287	0.1533	0.1523
Echinococcus granulosus	carboxylesterase 5A	0.1701	1	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0104	0.0093
Brugia malayi	Carboxylesterase family protein	0.0287	0.1533	0.1523
Leishmania major	carbonic anhydrase-like protein	0.0175	0.0858	1
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.037	0.2034
Schistosoma mansoni	gliotactin	0.0287	0.1533	0.1523
Schistosoma mansoni	carbonic anhydrase-related	0.0082	0.0303	0.0291
Echinococcus multilocularis	carbonic anhydrase II	0.0175	0.0858	0.0858
Plasmodium vivax	beta-ketoacyl-acyl carrier protein synthase III precursor, putative	0.0312	0.1682	0.5
Plasmodium falciparum	beta-ketoacyl-ACP synthase III	0.0312	0.1682	1
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0175	0.0858	1
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0303	0.0291
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.037	0.2034
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0043	0.0071	0.0071
Schistosoma mansoni	serine/threonine protein kinase	0.0093	0.037	0.0359
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0141	0.0656	0.5
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0287	0.1533	0.1521
Echinococcus granulosus	para nitrobenzyl esterase	0.0287	0.1533	0.1521
Trypanosoma brucei	carbonic anhydrase-like protein	0.0175	0.0858	1
Echinococcus granulosus	neuroligin	0.0287	0.1533	0.1521
Echinococcus multilocularis	neuropeptide receptor A26	0.0455	0.2536	0.2536
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0303	0.0291
Onchocerca volvulus		0.0287	0.1533	1
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0082	0.0303	0.0291
Loa Loa (eye worm)	hypothetical protein	0.0287	0.1533	0.1523
Echinococcus granulosus	neuropeptide receptor A26	0.0455	0.2536	0.2527
Loa Loa (eye worm)	hypothetical protein	0.1701	1	1
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0082	0.0303	0.0291
Mycobacterium tuberculosis	3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III)	0.0312	0.1682	1
Echinococcus multilocularis	acetylcholinesterase	0.1701	1	1
Schistosoma mansoni	cytosol alanyl aminopeptidase (M01 family)	0.0043	0.0071	0.006
Wolbachia endosymbiont of Brugia malayi	3-oxoacyl-ACP synthase	0.0312	0.1682	0.5
Treponema pallidum	fructose-bisphosphate aldolase	0.0289	0.1541	0.5
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0043	0.0071	0.0071
Echinococcus multilocularis	neuroligin	0.0287	0.1533	0.1533
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0082	0.0303	0.0291
Mycobacterium ulcerans	carboxylesterase, LipT	0.0287	0.1533	0.9073
Echinococcus multilocularis	geminin	0.0167	0.0814	0.0814
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0093	0.037	0.037
Echinococcus granulosus	microtubule associated protein 2	0.0682	0.3895	0.3887
Echinococcus multilocularis	Peptidase M1, membrane alanine aminopeptidase, N terminal	0.0043	0.0071	0.0071
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0043	0.0071	0.0058
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0287	0.1533	0.1523
Brugia malayi	Pre-SET motif family protein	0.0206	0.1043	0.1032
Brugia malayi	TAR-binding protein	0.0063	0.0186	0.0175
Echinococcus granulosus	carbonic anhydrase	0.0082	0.0303	0.029
Onchocerca volvulus		0.0287	0.1533	1
Entamoeba histolytica	fatty acid elongase, putative	0.0041	0.0054	0.0204
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0186	0.0175
Mycobacterium ulcerans	beta-ketoacyl synthase-like protein	0.0312	0.1682	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0104	0.0093
Giardia lamblia	Fructose-bisphosphate aldolase	0.0289	0.1541	1
Loa Loa (eye worm)	carboxylesterase	0.1701	1	1
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0287	0.1533	0.1533
Echinococcus granulosus	geminin	0.0167	0.0814	0.0802
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0093	0.037	0.0357
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0186	0.0175
Brugia malayi	hypothetical protein	0.0035	0.0023	0.0011
Echinococcus multilocularis	acetylcholinesterase	0.1701	1	1
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0043	0.0071	0.0071
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0289	0.1541	1
Loa Loa (eye worm)	acetylcholinesterase 1	0.1701	1	1
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0043	0.0071	0.0058
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0287	0.1533	0.8544
Chlamydia trachomatis	oxoacyl-ACP synthase III	0.0312	0.1682	0.5
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0141	0.0656	0.3631
Entamoeba histolytica	fatty acid elongase, putative	0.0041	0.0054	0.0204
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0043	0.0071	0.0058
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0287	0.1533	0.1533
Echinococcus multilocularis	neuropeptide s receptor	0.0455	0.2536	0.2536
Loa Loa (eye worm)	hypothetical protein	0.0287	0.1533	0.1523
Onchocerca volvulus		0.0287	0.1533	1
Echinococcus multilocularis	carbonic anhydrase	0.0082	0.0303	0.0303
Leishmania major	aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0043	0.0071	0.0686
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.037	0.2034
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0175	0.0858	0.0847
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0289	0.1541	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.1701	1	1
Loa Loa (eye worm)	carboxylesterase	0.0287	0.1533	0.1523
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0063	0.0186	0.0175
Loa Loa (eye worm)	TAR-binding protein	0.0063	0.0186	0.0175
Echinococcus multilocularis	para nitrobenzyl esterase	0.0287	0.1533	0.1533
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0287	0.1533	0.1523
Schistosoma mansoni	hypothetical protein	0.0167	0.0814	0.0803
Trichomonas vaginalis	CAMK family protein kinase	0.0046	0.0088	0.0113
Echinococcus granulosus	carbonic anhydrase	0.0082	0.0303	0.029
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0023	0.0011
Onchocerca volvulus		0.0287	0.1533	1
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0287	0.1533	0.9945
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0043	0.0071	0.0071
Echinococcus granulosus	acetylcholinesterase	0.1701	1	1
Trypanosoma cruzi	polo-like protein kinase, putative	0.0093	0.037	0.4226
Loa Loa (eye worm)	hypothetical protein	0.0287	0.1533	0.1523
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0023	0.001
Echinococcus granulosus	neuropeptide s receptor	0.0455	0.2536	0.2527
Entamoeba histolytica	fatty acid elongase, putative	0.0041	0.0054	0.0204
Loa Loa (eye worm)	aminopeptidase N	0.0043	0.0071	0.006
Echinococcus granulosus	carbonic anhydrase	0.0082	0.0303	0.029
Brugia malayi	Peptidase family M1 containing protein	0.0043	0.0071	0.006
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0289	0.1541	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0104	0.0093
Trypanosoma brucei	polo-like protein kinase	0.0093	0.037	0.4226
Onchocerca volvulus		0.0234	0.1213	0.7896
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0082	0.0303	0.0291
Loa Loa (eye worm)	hypothetical protein	0.0287	0.1533	0.1523
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0175	0.0858	1
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0175	0.0858	0.0847
Loa Loa (eye worm)	carboxylesterase	0.0287	0.1533	0.1523
Brugia malayi	RNA binding protein	0.0063	0.0186	0.0175
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.037	0.2034
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0289	0.1541	1
Schistosoma mansoni	hypothetical protein	0.0082	0.0303	0.0291
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.037	0.2034
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.0312	0.1682	1
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0043	0.0071	0.0058
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0186	0.0175
Loa Loa (eye worm)	hypothetical protein	0.0287	0.1533	0.1523
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0186	0.0175
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0082	0.0303	0.0291
Brugia malayi	hypothetical protein	0.0034	0.0013	0.0002
Loa Loa (eye worm)	RNA binding protein	0.0063	0.0186	0.0175
Brugia malayi	hypothetical protein	0.0287	0.1533	0.1523
Echinococcus granulosus	BC026374 protein S09 family	0.0287	0.1533	0.1521
Schistosoma mansoni	hypothetical protein	0.0035	0.0023	0.0011
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0104	0.0093
Loa Loa (eye worm)	hypothetical protein	0.1701	1	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0289	0.1541	1
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0093	0.037	0.0359
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0186	0.0175
Schistosoma mansoni	carbonic anhydrase-related	0.0082	0.0303	0.0291
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0043	0.0071	0.0071
Schistosoma mansoni	carbonic anhydrase-related	0.0082	0.0303	0.0291
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0287	0.1533	0.8544
Brugia malayi	Carboxylesterase family protein	0.0287	0.1533	0.1523
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0289	0.1541	1
Entamoeba histolytica	aminopeptidase, putative	0.0043	0.0071	0.0317
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.037	0.2034
Trypanosoma cruzi	polo-like protein kinase, putative	0.0093	0.037	0.4226
Trichomonas vaginalis	spcc417.12 protein, putative	0.0287	0.1533	0.9945
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0287	0.1533	0.8544
Brugia malayi	Carboxylesterase family protein	0.0287	0.1533	0.1523
Schistosoma mansoni	microtubule-associated protein tau	0.0682	0.3895	0.3888
Schistosoma mansoni	BC026374 protein (S09 family)	0.0287	0.1533	0.1523
Loa Loa (eye worm)	hypothetical protein	0.0287	0.1533	0.1523
Brugia malayi	Carboxylesterase family protein	0.0287	0.1533	0.1523
Schistosoma mansoni	hypothetical protein	0.0167	0.0814	0.0803
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0206	0.1043	0.1032
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0303	0.0291
Loa Loa (eye worm)	hypothetical protein	0.0287	0.1533	0.1523
Echinococcus multilocularis	carbonic anhydrase	0.0082	0.0303	0.0303
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.037	0.2034
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0093	0.037	0.4226
Schistosoma mansoni	kinase	0.0047	0.0095	0.0084
Trypanosoma brucei	metallo-peptidase, Clan MA(E) Family M1	0.0043	0.0071	0.0686
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0034	0.0013	0.0002
Onchocerca volvulus		0.0287	0.1533	1
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0082	0.0303	0.0291
Toxoplasma gondii	hypothetical protein	0.0082	0.0303	0.5
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0289	0.1541	1
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0175	0.0858	0.0847
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0093	0.037	0.2349
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0093	0.037	0.2286
Brugia malayi	serine/threonine-protein kinase plk-2	0.0093	0.037	0.0359
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0175	0.0858	0.0847
Echinococcus granulosus	tar DNA binding protein	0.0063	0.0186	0.0173
Loa Loa (eye worm)	carbonic anhydrase 3	0.0175	0.0858	0.0847
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0289	0.1541	1
Brugia malayi	Carboxylesterase family protein	0.1701	1	1
Echinococcus multilocularis	carboxylesterase 5A	0.1701	1	1
Schistosoma mansoni	acetylcholinesterase	0.0287	0.1533	0.1523
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0289	0.1541	1
Entamoeba histolytica	fatty acid elongase, putative	0.0041	0.0054	0.0204
Echinococcus granulosus	acetylcholinesterase	0.1701	1	1
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.0312	0.1682	1
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0175	0.0858	0.0847
Echinococcus multilocularis	aminopeptidase N	0.0034	0.0013	0.0013
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0287	0.1533	0.1523
Echinococcus multilocularis	tar DNA binding protein	0.0063	0.0186	0.0186
Echinococcus multilocularis	carbonic anhydrase	0.0082	0.0303	0.0303
Echinococcus granulosus	carbonic anhydrase II	0.0175	0.0858	0.0846
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0289	0.1541	1
Schistosoma mansoni	carbonic anhydrase	0.0082	0.0303	0.0291
Trichomonas vaginalis	set domain proteins, putative	0.0234	0.1213	0.7769
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0023	0.0023
Brugia malayi	RNA recognition motif domain containing protein	0.0063	0.0186	0.0175
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0043	0.0071	0.0686
Entamoeba histolytica	fatty acid elongase, putative	0.0041	0.0054	0.0204
Brugia malayi	Peptidase family M1 containing protein	0.0034	0.0013	0.0002

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 842899