TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 281.801 | Formula: C14H16ClNOS
H donors: 0 H acceptors: 1 LogP: 4.04 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: O=C1CSc2c(N1C1CCCCC1)cccc2Cl
InChi: 1S/C14H16ClNOS/c15-11-7-4-8-12-14(11)18-9-13(17)16(12)10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2
InChiKey: CSVKDHSZRPUAPL-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
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0181	0.9562	0.9562
Schistosoma mansoni	thyroid hormone receptor	0.0181	0.9562	0.9562
Toxoplasma gondii	proteasome subunit beta type, putative	0.0145	0.5951	0.5
Loa Loa (eye worm)	hypothetical protein	0.0181	0.9562	0.9562
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1024	0.1024
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0181	0.9562	0.9562
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.0185	1	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0181	0.9562	0.9562
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0181	0.9562	0.9562
Brugia malayi	hypothetical protein	0.0095	0.1024	0.1024
Loa Loa (eye worm)	steroid hormone receptor	0.0181	0.9562	0.9562
Schistosoma mansoni	calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase	0.0185	1	1
Mycobacterium ulcerans	proteasome PrcB	0.0145	0.5951	0.5
Entamoeba histolytica	proteasome subunit beta type 5 precursor, putative	0.0145	0.5951	0.5
Echinococcus granulosus	proteasome prosome macropain	0.0145	0.5951	0.5951
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0181	0.9562	0.9562
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0181	0.9562	0.9562
Loa Loa (eye worm)	PDE1B protein	0.0185	1	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0181	0.9562	0.9562
Brugia malayi	ecdysteroid receptor	0.0181	0.9562	0.9562
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0181	0.9562	0.9562
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0181	0.9562	0.9562
Brugia malayi	nuclear receptor NHR-88	0.0181	0.9562	0.9562
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0181	0.9562	0.9562
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0181	0.9562	0.9562
Onchocerca volvulus	Protein ultraspiracle homolog	0.0181	0.9562	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0181	0.9562	0.9562
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0181	0.9562	0.9562
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0095	0.1024	0.1024
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0181	0.9562	0.9562
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0181	0.9562	0.9562
Echinococcus multilocularis	FTZ F1 alpha	0.0181	0.9562	0.9562
Schistosoma mansoni	thyroid hormone receptor	0.0181	0.9562	0.9562
Schistosoma mansoni	coup transcription factor	0.0181	0.9562	0.9562
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0181	0.9562	0.9562
Schistosoma mansoni	nuclear hormone receptor	0.0181	0.9562	0.9562
Plasmodium falciparum	proteasome subunit beta type-5	0.0145	0.5951	0.5
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0145	0.5951	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0181	0.9562	0.9562
Loa Loa (eye worm)	hypothetical protein	0.0181	0.9562	0.9562
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0181	0.9562	0.9562
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0181	0.9562	0.9562
Trypanosoma cruzi	proteasome subunit beta type-5, putative	0.0145	0.5951	0.5
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0181	0.9562	0.9562
Brugia malayi	Nuclear hormone receptor-like 1	0.0095	0.1024	0.1024
Echinococcus granulosus	ecdysone induced protein 78C	0.0181	0.9562	0.9562
Onchocerca volvulus	Bile acid receptor homolog	0.0181	0.9562	1
Leishmania major	proteasome beta 5 subunit, putative	0.0145	0.5951	0.5
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0181	0.9562	0.9562
Loa Loa (eye worm)	hypothetical protein	0.0181	0.9562	0.9562
Brugia malayi	hypothetical protein	0.0095	0.1024	0.1024
Loa Loa (eye worm)	hypothetical protein	0.0181	0.9562	0.9562
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0181	0.9562	0.9562
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0181	0.9562	0.9562
Loa Loa (eye worm)	hypothetical protein	0.0181	0.9562	0.9562
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0181	0.9562	0.9562
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0181	0.9562	0.9562
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1024	0.1024
Echinococcus multilocularis	proteasome (prosome, macropain)	0.0145	0.5951	0.5951
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0181	0.9562	0.9562
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0181	0.9562	0.9562
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0095	0.1024	0.1024
Brugia malayi	nuclear receptor RXR	0.0095	0.1024	0.1024
Brugia malayi	photoreceptor-specific nuclear receptor	0.0181	0.9562	0.9562
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0095	0.1024	0.1024
Brugia malayi	Nuclear hormone receptor-like 1	0.0181	0.9562	0.9562
Loa Loa (eye worm)	hypothetical protein	0.0181	0.9562	0.9562
Brugia malayi	nuclear hormone receptor	0.0181	0.9562	0.9562
Loa Loa (eye worm)	hypothetical protein	0.0181	0.9562	0.9562
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0095	0.1024	0.1024
Brugia malayi	Proteasome A-type and B-type family protein	0.0145	0.5951	0.5951
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1024	0.1024
Schistosoma mansoni	proteasome catalytic subunit 3 (T01 family)	0.0145	0.5951	0.5951
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0181	0.9562	0.9562
Mycobacterium leprae	proteasome (beta subunit) PrcB	0.0145	0.5951	0.5
Mycobacterium tuberculosis	Proteasome beta subunit PrcB; assembles with alpha subunit PrcA.	0.0145	0.5951	0.5
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0181	0.9562	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0181	0.9562	0.9562
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1024	0.1024
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0181	0.9562	0.9562
Giardia lamblia	Proteasome subunit beta type 5 precursor	0.0145	0.5951	0.5
Plasmodium vivax	proteasome subunit beta type-5, putative	0.0145	0.5951	0.5
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0181	0.9562	0.9562
Brugia malayi	Nuclear hormone receptor-like 1	0.0095	0.1024	0.1024
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0181	0.9562	0.9562
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.0145	0.5951	0.5951
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0095	0.1024	0.1024
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0181	0.9562	0.9562
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0181	0.9562	0.9562
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.0185	1	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0181	0.9562	0.9562
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0181	0.9562	0.9562
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0181	0.9562	0.9562
Trypanosoma brucei	proteasome subunit beta type-5, putative	0.0145	0.5951	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0181	0.9562	0.9562
Brugia malayi	steroid hormone receptor	0.0181	0.9562	0.9562
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0181	0.9562	0.9562
Schistosoma mansoni	retinoic acid receptor RXR	0.0181	0.9562	0.9562
Echinococcus granulosus	FTZ F1 alpha	0.0181	0.9562	0.9562
Echinococcus multilocularis	ecdysone induced protein 78C	0.0181	0.9562	0.9562
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0181	0.9562	0.9562
Brugia malayi	Steroid receptor seven-up type 2	0.0181	0.9562	0.9562
Loa Loa (eye worm)	hypothetical protein	0.0181	0.9562	0.9562
Trypanosoma cruzi	proteasome subunit beta type-5, putative	0.0145	0.5951	0.5
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1024	0.1024
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0181	0.9562	0.9562
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0181	0.9562	0.9562
Onchocerca volvulus		0.0181	0.9562	1

Activities

Activity type	Activity value	Assay description	Source	Reference
MIC (functional)	= 32 ug ml-1	Antibacterial activity against Escherichia coli ATCC 25922 after 24 hr by two-fold microdilution technique	ChEMBL.	No reference
MIC (functional)	= 64 ug ml-1	Microbiostatic activity against Saccharomyces cerevisiae ATCC 74212 after 48 hr by two fold microdilution technique	ChEMBL.	No reference
MIC (functional)	= 128 ug ml-1	Microbiostatic activity against Candida albicans ATCC 76615 after 48 hr by two-fold microdilution technique	ChEMBL.	No reference

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: CHEMBL2234105

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 1812873