TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 341.381 | Formula: C18H15NO4S
H donors: 0 H acceptors: 1 LogP: 3.72 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1c(OC)c(OC)ccc1c1csc2c1n1cccc1C2=O
InChi: 1S/C18H15NO4S/c1-21-13-7-6-10(16(22-2)17(13)23-3)11-9-24-18-14(11)19-8-4-5-12(19)15(18)20/h4-9H,1-3H3
InChiKey: RSILIGGITRHHAH-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)	TAR-binding protein	0.0068	0.0885	0.0885
Loa Loa (eye worm)	hypothetical protein	0.0476	1	1
Trichomonas vaginalis	thymidine kinase, putative	0.0268	0.5357	1
Entamoeba histolytica	glycogen phosphorylase, putative	0.0098	0.1549	0.1966
Schistosoma mansoni	glycogen phosphorylase	0.0098	0.1549	0.2084
Schistosoma mansoni	glycogen phosphorylase	0.0226	0.4417	0.5973
Echinococcus granulosus	Na+ dependent nucleoside transporter	0.0359	0.7382	0.9994
Brugia malayi	hypothetical protein	0.0052	0.0525	0.0514
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0525	0.0525
Toxoplasma gondii	cytidine and deoxycytidylate deaminase zinc-binding region domain-containing protein	0.0056	0.0617	1
Entamoeba histolytica	glycogenphosphorylase, putative	0.0098	0.1549	0.1966
Echinococcus multilocularis	thymidine kinase	0.0262	0.5213	0.7052
Echinococcus granulosus	thymidine kinase	0.0262	0.5213	0.7052
Schistosoma mansoni	hypothetical protein	0.0359	0.7387	1
Echinococcus granulosus	thymidine kinase	0.0262	0.5213	0.7052
Echinococcus multilocularis	cytidine deaminase	0.0056	0.0617	0.082
Echinococcus multilocularis	concentrative Na+ nucleoside cotransporter	0.0359	0.7382	0.9994
Leishmania major	thymidine kinase, putative	0.0268	0.5357	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0012	0.0012
Trypanosoma cruzi	thymidine kinase, putative	0.0268	0.5357	1
Leishmania major	cytidine deaminase-like protein	0.0056	0.0617	0.0189
Echinococcus granulosus	survival motor neuron protein 1	0.0254	0.5042	0.6821
Plasmodium vivax	ataxin-2 like protein, putative	0.0052	0.0525	0.5
Onchocerca volvulus		0.0052	0.0522	0.0511
Brugia malayi	TAR-binding protein	0.0068	0.0885	0.0875
Schistosoma mansoni	glycogen phosphorylase	0.0226	0.4417	0.5973
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.038	0.0499
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.038	0.038
Trichomonas vaginalis	thymidine kinase, putative	0.0268	0.5357	1
Trypanosoma cruzi	cytidine deaminase-like protein	0.0056	0.0617	0.0189
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.0885	0.1184
Schistosoma mansoni	hypothetical protein	0.0056	0.0606	0.0806
Loa Loa (eye worm)	RNA binding protein	0.0068	0.0885	0.0885
Entamoeba histolytica	glycogen phosphorylase, putative	0.0098	0.1549	0.1966
Brugia malayi	hypothetical protein	0.0254	0.5042	0.5037
Loa Loa (eye worm)	glycogen phosphorylase	0.0226	0.4417	0.4417
Echinococcus multilocularis	sodium:nucleoside cotransporter 2	0.0234	0.4594	0.6213
Echinococcus multilocularis	geminin	0.0359	0.7387	1
Brugia malayi	carbohydrate phosphorylase	0.0226	0.4417	0.441
Echinococcus granulosus	geminin	0.0359	0.7387	1
Entamoeba histolytica	glycogen phosphorylase, putative	0.0226	0.4417	0.8016
Entamoeba histolytica	thymidine kinase, putative	0.0268	0.5357	1
Echinococcus multilocularis	transfer RNA-Ile	0.0262	0.5213	0.7052
Trypanosoma brucei	cytidine deaminase	0.0056	0.0617	0.0189
Echinococcus multilocularis	thymidine kinase	0.0262	0.5213	0.7052
Mycobacterium ulcerans	glycogen phosphorylase GlgP	0.0098	0.1549	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0029	0.0012	0.0012
Loa Loa (eye worm)	runx1	0.006	0.0698	0.0698
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.038	0.0499
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0068	0.0885	0.0885
Echinococcus granulosus	glycogen phosphorylase	0.0226	0.4417	0.5973
Echinococcus multilocularis	solute carrier family 28	0.0359	0.7382	0.9994
Loa Loa (eye worm)	hypothetical protein	0.0476	1	1
Onchocerca volvulus		0.0056	0.0617	0.0605
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.0885	0.1184
Echinococcus granulosus	tar DNA binding protein	0.0068	0.0885	0.1184
Loa Loa (eye worm)	intermediate filament protein	0.0029	0.0012	0.0012
Trichomonas vaginalis	glycogen phosphorylase, putative	0.0226	0.4417	0.8016
Echinococcus granulosus	cytidine deaminase	0.0056	0.0617	0.082
Echinococcus granulosus	Thymidine kinase 2 mitochondrial	0.0262	0.5213	0.7052
Trichomonas vaginalis	thymidine kinase, putative	0.0268	0.5357	1
Giardia lamblia	Thymidine kinase	0.0268	0.5357	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0052	0.0525	0.5
Giardia lamblia	Glycogen phosphorylase	0.0226	0.4417	0.8016
Onchocerca volvulus	Glycogen phosphorylase homolog	0.0226	0.4417	0.441
Echinococcus granulosus	solute carrier family 28	0.0359	0.7382	0.9994
Schistosoma mansoni	hypothetical protein	0.0359	0.7387	1
Schistosoma mansoni	hypothetical protein	0.0052	0.0522	0.0692
Schistosoma mansoni	lozenge	0.006	0.0698	0.0931
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.0885	0.1184
Echinococcus multilocularis	Glycosyl transferase, family 35	0.0226	0.4417	0.5973
Brugia malayi	cytidine deaminase, identical	0.0056	0.0617	0.0605
Mycobacterium leprae	PROBABLE CYTIDINE DEAMINASE CDD (CYTIDINE AMINOHYDROLASE) (CYTIDINE NUCLEOSIDE DEAMINASE)	0.0056	0.0617	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.038	0.0499
Schistosoma mansoni	thymidine kinase	0.0262	0.5213	0.7052
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.0885	0.1184
Echinococcus multilocularis	glycogen phosphorylase	0.0226	0.4417	0.5973
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.038	0.0499
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.038	0.0499
Echinococcus multilocularis	Protein lozenge	0.006	0.0698	0.0931
Brugia malayi	RNA binding protein	0.0068	0.0885	0.0875
Brugia malayi	RNA recognition motif domain containing protein	0.0068	0.0885	0.0875
Echinococcus multilocularis	survival motor neuron protein 1	0.0254	0.5042	0.6821
Echinococcus granulosus	concentrative Na nucleoside cotransporter	0.0359	0.7382	0.9994
Plasmodium falciparum	ataxin-2 like protein, putative	0.0052	0.0525	0.5
Echinococcus multilocularis	glycogen phosphorylase	0.0226	0.4417	0.5973
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0052	0.0522	0.0511
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.0885	0.1184
Brugia malayi	hypothetical protein	0.0034	0.0114	0.0102
Entamoeba histolytica	glycogen phosphorylase, putative	0.0226	0.4417	0.8016
Loa Loa (eye worm)	hypothetical protein	0.0254	0.5042	0.5042
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.038	0.0368
Trypanosoma cruzi	thymidine kinase, putative	0.0268	0.5357	1
Trypanosoma cruzi	cytidine deaminase-like protein, putative	0.0056	0.0617	0.0189
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.038	0.0499
Schistosoma mansoni	survival motor neuron protein	0.0052	0.0522	0.0692
Onchocerca volvulus		0.0476	1	1
Echinococcus multilocularis	tar DNA binding protein	0.0068	0.0885	0.1184
Echinococcus granulosus	Glycosyl transferase family 35	0.0226	0.4417	0.5973
Trypanosoma brucei	thymidine kinase	0.0268	0.5357	1
Mycobacterium tuberculosis	Probable glycogen phosphorylase GlgP	0.0098	0.1549	1
Onchocerca volvulus		0.0056	0.0617	0.0605
Chlamydia trachomatis	glycogen phosphorylase	0.0226	0.4417	0.5
Echinococcus granulosus	glycogen phosphorylase	0.0226	0.4417	0.5973
Trichomonas vaginalis	glycogen phosphorylase, putative	0.0226	0.4417	0.8016
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.038	0.0499

Activities

Activity type	Activity value	Assay description	Source	Reference
Cells (functional)	0 %	Compound was tested for percentage of L1210 cells accumulated in the G2 + M + 8N phase of the cell cycle; NT = Not tested	ChEMBL.	14998333
GI50 (functional)	= 36.4 uM	In vitro antiproliferative activity against L1210 cell line, activity expressed as growth inhibition	ChEMBL.	14998333
GI50 (functional)	= 36.4 uM	In vitro antiproliferative activity against L1210 cell line, activity expressed as growth inhibition	ChEMBL.	14998333

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 49157