TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 429.508 | Formula: C18H23NO7S2
H donors: 2 H acceptors: 3 LogP: 1.73 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)[C@@H]1CSCc2c(O)cc(c(c2C(=O)OCCOCC(=S)N1)C)OC
InChi: 1S/C18H23NO7S2/c1-10-14(23-2)6-13(20)11-8-28-9-12(17(21)24-3)19-15(27)7-25-4-5-26-18(22)16(10)11/h6,12,20H,4-5,7-9H2,1-3H3,(H,19,27)/t12-/m0/s1
InChiKey: VTYBQDOWCVDGMQ-LBPRGKRZSA-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
Entamoeba histolytica	hypothetical protein	0.0042	0.0969	0.0653
Loa Loa (eye worm)	TATA binding protein associated factor	0.0105	0.3195	0.3195
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0262	0.8703	0.8703
Schistosoma mansoni	Tata binding protein associated factor (M01 family)	0.0105	0.3195	0.3093
Trichomonas vaginalis	glucosylceramidase, putative	0.0262	0.8703	0.8095
Echinococcus granulosus	geminin	0.0196	0.6401	0.6394
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.0105	0.3195	0.3195
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0042	0.0969	0.0952
Onchocerca volvulus		0.0084	0.2466	0.201
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0209	0.6852	0.6662
Brugia malayi	N-terminal motif family protein	0.0209	0.6852	0.6828
Brugia malayi	latrophilin 2 splice variant baaae	0.0039	0.0892	0.0822
Brugia malayi	TATA binding protein associated factor	0.0105	0.3195	0.3143
Loa Loa (eye worm)	hypothetical protein	0.0105	0.3195	0.3195
Chlamydia trachomatis	holo [acyl-carrier protein] synthase	0.0024	0.0338	0.5
Mycobacterium ulcerans	aminopeptidase N PepN	0.0105	0.3195	0.2957
Loa Loa (eye worm)	hypothetical protein	0.0105	0.3195	0.3195
Loa Loa (eye worm)	hypothetical protein	0.0194	0.631	0.631
Loa Loa (eye worm)	hypothetical protein	0.0194	0.631	0.631
Brugia malayi	follicle stimulating hormone receptor	0.026	0.8661	0.865
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0084	0.2466	0.2354
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.0105	0.3195	0.3093
Onchocerca volvulus	Huntingtin homolog	0.0142	0.4491	0.4157
Trypanosoma brucei	aminopeptidase, putative	0.0105	0.3195	0.2957
Brugia malayi	hypothetical protein	0.0253	0.8413	0.8401
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0058	0.1534	0.1469
Echinococcus granulosus	GPCR family 2	0.0018	0.0147	0.0128
Schistosoma mansoni	family M1 non-peptidase homologue (M01 family)	0.0194	0.631	0.6255
Echinococcus granulosus	lamin	0.003	0.0571	0.0553
Trichomonas vaginalis	glucosylceramidase, putative	0.0262	0.8703	0.8095
Brugia malayi	MH2 domain containing protein	0.0128	0.4003	0.3957
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.026	0.8661	0.8661
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0042	0.0969	0.0952
Entamoeba histolytica	hypothetical protein	0.0042	0.0969	0.0653
Brugia malayi	Peptidase family M1 containing protein	0.0105	0.3195	0.3143
Loa Loa (eye worm)	transcription factor SMAD2	0.0128	0.4003	0.4003
Schistosoma mansoni	hypothetical protein	0.0052	0.1322	0.1193
Echinococcus granulosus	L aminoadipate semialdehyde	0.0084	0.2466	0.2452
Schistosoma mansoni	hypothetical protein	0.0039	0.0892	0.0756
Loa Loa (eye worm)	MH2 domain-containing protein	0.0128	0.4003	0.4003
Schistosoma mansoni	aminopeptidase A (M01 family)	0.0105	0.3195	0.3093
Onchocerca volvulus		0.0105	0.3195	0.2783
Trichomonas vaginalis	glucosylceramidase, putative	0.0262	0.8703	0.8095
Schistosoma mansoni	transcription factor LCR-F1	0.0042	0.0969	0.0835
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.554	0.3447
Echinococcus multilocularis	GPCR, family 2	0.0018	0.0147	0.0128
Toxoplasma gondii	aminopeptidase n, putative	0.0105	0.3195	1
Onchocerca volvulus		0.0052	0.1322	0.0797
Brugia malayi	intermediate filament protein	0.003	0.0571	0.0499
Echinococcus multilocularis	lamin dm0	0.003	0.0571	0.0553
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0084	0.2466	0.2409
Brugia malayi	Latrophilin receptor protein 2	0.0018	0.0147	0.0071
Echinococcus multilocularis	lamin	0.003	0.0571	0.0553
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.0105	0.3195	0.3182
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0105	0.3195	1
Schistosoma mansoni	survival motor neuron protein	0.0052	0.1322	0.1193
Loa Loa (eye worm)	intermediate filament protein	0.003	0.0571	0.0571
Schistosoma mansoni	hypothetical protein	0.0042	0.0969	0.0835
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.554	0.3447
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0018	0.0147	0.0147
Loa Loa (eye worm)	hypothetical protein	0.0142	0.4491	0.4491
Loa Loa (eye worm)	hypothetical protein	0.0084	0.2466	0.2466
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0052	0.1322	0.1256
Trichomonas vaginalis	glucosylceramidase, putative	0.0262	0.8703	0.8095
Plasmodium falciparum	M1-family alanyl aminopeptidase, putative	0.0105	0.3195	1
Loa Loa (eye worm)	hypothetical protein	0.0105	0.3195	0.3195
Loa Loa (eye worm)	peptidase family M1 containing protein	0.0105	0.3195	0.3195
Echinococcus multilocularis	survival motor neuron protein 1	0.0253	0.8413	0.841
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0084	0.2466	0.2452
Schistosoma mansoni	lamin	0.003	0.0571	0.043
Echinococcus granulosus	survival motor neuron protein 1	0.0253	0.8413	0.841
Trichomonas vaginalis	glucosylceramidase, putative	0.0181	0.5865	0.3924
Loa Loa (eye worm)	hypothetical protein	0.0194	0.631	0.631
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.0194	0.631	0.4578
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.554	0.3447
Entamoeba histolytica	hypothetical protein	0.0042	0.0969	0.0653
Brugia malayi	Intermediate filament tail domain containing protein	0.003	0.0571	0.0499
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0892	0.0892
Trichomonas vaginalis	glucosylceramidase, putative	0.0181	0.5865	0.3924
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0018	0.0147	0.0071
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0018	0.0147	0.0128
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0018	0.0147	0.0128
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0147	0.0147
Leishmania major	puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0105	0.3195	0.2957
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0058	0.1534	0.1469
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0105	0.3195	1
Loa Loa (eye worm)	hypothetical protein	0.0058	0.1534	0.1534
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0058	0.1534	0.1534
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0018	0.0147	0.0128
Loa Loa (eye worm)	hypothetical protein	0.0253	0.8413	0.8413
Loa Loa (eye worm)	hypothetical protein	0.0142	0.4491	0.4491
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.554	0.3447
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.554	0.3447
Schistosoma mansoni	hypothetical protein	0.0196	0.6401	0.6348
Trichomonas vaginalis	glucosylceramidase, putative	0.0262	0.8703	0.8095
Echinococcus granulosus	intermediate filament protein	0.003	0.0571	0.0553
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0105	0.3195	0.3182
Trichomonas vaginalis	glucosylceramidase, putative	0.0262	0.8703	0.8095
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0016	0.0076	0.0076
Echinococcus granulosus	leukotriene A 4 hydrolase	0.0105	0.3195	0.3182
Brugia malayi	hypothetical protein	0.0105	0.3195	0.3143
Entamoeba histolytica	hypothetical protein	0.0042	0.0969	0.0653
Loa Loa (eye worm)	hypothetical protein	0.003	0.0571	0.0571
Loa Loa (eye worm)	hypothetical protein	0.0209	0.6852	0.6852
Brugia malayi	hypothetical protein	0.0142	0.4491	0.4449
Onchocerca volvulus	Glucosylceramidase homolog	0.0172	0.554	0.527
Loa Loa (eye worm)	hypothetical protein	0.003	0.0552	0.0552
Echinococcus multilocularis	musashi	0.003	0.0571	0.0553
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0194	0.631	0.6303
Brugia malayi	hypothetical protein	0.0042	0.0969	0.09
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0105	0.3195	0.2957
Toxoplasma gondii	aminopeptidase N, putative	0.0105	0.3195	1
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0105	0.3195	0.3182
Toxoplasma gondii	aminopeptidase N protein	0.0105	0.3195	1
Wolbachia endosymbiont of Brugia malayi	4'-phosphopantetheinyl transferase	0.0024	0.0338	0.5
Echinococcus granulosus	lamin dm0	0.003	0.0571	0.0553
Schistosoma mansoni	hypothetical protein	0.0196	0.6401	0.6348
Schistosoma mansoni	intermediate filament proteins	0.003	0.0571	0.043
Mycobacterium leprae	conserved hypothetical protein	0.0024	0.0338	0.5
Onchocerca volvulus	Huntingtin homolog	0.0142	0.4491	0.4157
Loa Loa (eye worm)	hypothetical protein	0.0015	0.002	0.002
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.554	0.3447
Echinococcus multilocularis	geminin	0.0196	0.6401	0.6394
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.554	0.3447
Treponema pallidum	4'-phosphopantetheinyl transferase	0.0024	0.0338	0.5
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0262	0.8703	0.8693
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0018	0.0147	0.0128
Schistosoma mansoni	lamin	0.003	0.0571	0.043
Plasmodium falciparum	M1-family alanyl aminopeptidase	0.0105	0.3195	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.003	0.0571	0.0571
Mycobacterium tuberculosis	holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie	0.0024	0.0338	0.5

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: CHEMBL1765459

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 1511208