TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 415.807 | Formula: C19H21Cl3N2S
H donors: 0 H acceptors: 0 LogP: 6.3 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(cc1)SCCCN1CCN(CC1)c1ccc(c(c1)Cl)Cl
InChi: 1S/C19H21Cl3N2S/c20-15-2-5-17(6-3-15)25-13-1-8-23-9-11-24(12-10-23)16-4-7-18(21)19(22)14-16/h2-7,14H,1,8-13H2
InChiKey: HBSDAHYJUIQMEF-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
Mycobacterium tuberculosis	Probable multifunctional mycocerosic acid synthase membrane-associated Mas	0.0019	0	0.5
Echinococcus multilocularis	ecdysone induced protein 78C	0.0039	0.2693	0.3812
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0039	0.2693	0.2693
Schistosoma mansoni	laminin gamma-3 chain	0.0046	0.3702	1
Mycobacterium leprae	PROBABLE NADP-DEPENDENT ALCOHOL DEHYDROGENASE ADHC	0.0019	0	0.5
Mycobacterium tuberculosis	Possible quinone oxidoreductase (NADPH:quinone oxidoreductase) (zeta-crystallin)	0.0019	0	0.5
Mycobacterium leprae	Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas	0.0019	0	0.5
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0039	0.2693	0.3812
Brugia malayi	laminin alpha chain	0.0046	0.3702	0.3702
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.0071	0.7064	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0039	0.2693	0.3812
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0039	0.2693	0.2693
Schistosoma mansoni	hypothetical protein	0.0035	0.2107	0.5692
Schistosoma mansoni	thyroid hormone receptor	0.0039	0.2693	0.7273
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0039	0.2693	0.2693
Brugia malayi	hypothetical protein	0.0035	0.2107	0.2107
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0039	0.2693	0.2693
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0039	0.2693	0.2693
Schistosoma mansoni	nuclear hormone receptor	0.0039	0.2693	0.7273
Loa Loa (eye worm)	hypothetical protein	0.0039	0.2693	0.2693
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0039	0.2693	0.3812
Onchocerca volvulus		0.0039	0.2693	0.2693
Trypanosoma cruzi	oxidoreductase, putative	0.0019	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0039	0.2693	0.2693
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.2107	0.5692
Entamoeba histolytica	hypothetical protein	0.0035	0.2107	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0039	0.2693	0.7273
Mycobacterium tuberculosis	Possible dehydrogenase	0.0019	0	0.5
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0039	0.2693	0.7273
Mycobacterium tuberculosis	Probable oxidoreductase	0.0019	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0039	0.2693	0.2693
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0039	0.2693	0.2693
Brugia malayi	nuclear hormone receptor	0.0039	0.2693	0.2693
Trichomonas vaginalis	alcohol dehydrogenase, putative	0.0019	0	0.5
Leishmania major	zinc binding dehydrogenase-like protein	0.0019	0	0.5
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0021	0.0183	0.0494
Mycobacterium tuberculosis	Probable polyketide synthase Pks5	0.0019	0	0.5
Leishmania major	quinone oxidoreductase, putative	0.0019	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0039	0.2693	0.2693
Entamoeba histolytica	hypothetical protein	0.0035	0.2107	1
Mycobacterium tuberculosis	Probable quinone reductase Qor (NADPH:quinone reductase) (zeta-crystallin homolog protein)	0.0019	0	0.5
Entamoeba histolytica	hypothetical protein	0.0035	0.2107	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0039	0.2693	0.2693
Brugia malayi	Nuclear hormone receptor-like 1	0.0039	0.2693	0.2693
Wolbachia endosymbiont of Brugia malayi	NADPH:quinone reductase	0.0019	0	0.5
Schistosoma mansoni	chondroitin sulfate proteoglycan-related	0.0046	0.3702	1
Entamoeba histolytica	hypothetical protein	0.0035	0.2107	1
Echinococcus multilocularis	slit 2 protein	0.0046	0.3702	0.5241
Mycobacterium tuberculosis	Probable alcohol dehydrogenase Adh	0.0019	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0039	0.2693	0.2693
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0039	0.2693	0.3812
Leishmania major	zinc-binding dehydrogenase-like protein	0.0019	0	0.5
Toxoplasma gondii	quinone oxidoreductase, putative	0.0019	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0039	0.2693	0.2693
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0039	0.2693	0.3812
Trypanosoma cruzi	oxidoreductase, putative	0.0019	0	0.5
Leishmania major	NADP-dependent alcohol dehydrogenase, putative	0.0019	0	0.5
Mycobacterium ulcerans	NADP-dependent oxidoreductase	0.0093	1	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0039	0.2693	0.2693
Brugia malayi	laminin-like protein K08C7.3 precursor	0.0046	0.3702	0.3702
Loa Loa (eye worm)	abnormal epIthelia family member	0.0046	0.3702	0.3702
Echinococcus multilocularis	FTZ F1 alpha	0.0039	0.2693	0.3812
Loa Loa (eye worm)	hypothetical protein	0.0039	0.2693	0.2693
Loa Loa (eye worm)	hypothetical protein	0.0046	0.3702	0.3702
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0039	0.2693	0.2693
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0039	0.2693	0.2693
Loa Loa (eye worm)	steroid hormone receptor	0.0039	0.2693	0.2693
Loa Loa (eye worm)	hypothetical protein	0.0046	0.3702	0.3702
Mycobacterium tuberculosis	Probable NADPH quinone oxidoreductase FadB4 (NADPH:quinone reductase) (zeta-crystallin)	0.0019	0	0.5
Mycobacterium tuberculosis	Probable alcohol dehydrogenase AdhA	0.0019	0	0.5
Echinococcus granulosus	pikachurin	0.0046	0.3702	0.5241
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0039	0.2693	0.2693
Mycobacterium tuberculosis	Probable polyketide synthase Pks7	0.0019	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0183	0.0183
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0021	0.0183	0.0259
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0039	0.2693	0.3812
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC	0.0019	0	0.5
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0039	0.2693	0.3812
Schistosoma mansoni	coup transcription factor	0.0039	0.2693	0.7273
Echinococcus granulosus	ecdysone induced protein 78C	0.0039	0.2693	0.3812
Trypanosoma cruzi	NADP-dependent alcohol hydrogenase, putative	0.0019	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0039	0.2693	0.2693
Loa Loa (eye worm)	hypothetical protein	0.0039	0.2693	0.2693
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0039	0.2693	0.2693
Mycobacterium tuberculosis	Possible oxidoreductase FadB5	0.0019	0	0.5
Mycobacterium tuberculosis	Probable NADP-dependent alcohol dehydrogenase AdhC	0.0019	0	0.5
Mycobacterium tuberculosis	Probable zinc-type alcohol dehydrogenase AdhD (aldehyde reductase)	0.0019	0	0.5
Brugia malayi	nuclear receptor RXR	0.0021	0.0183	0.0183
Mycobacterium leprae	Probable alcohol dehydrogenase AdhA	0.0019	0	0.5
Trypanosoma cruzi	NADP-dependent alcohol hydrogenase, putative	0.0019	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0183	0.0183
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0039	0.2693	0.7273
Brugia malayi	Nuclear hormone receptor-like 1	0.0021	0.0183	0.0183
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.2107	0.2983
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0039	0.2693	0.3812
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0039	0.2693	0.2693
Brugia malayi	photoreceptor-specific nuclear receptor	0.0039	0.2693	0.2693
Echinococcus granulosus	neurogenic locus notch protein	0.0046	0.3702	0.5241
Schistosoma mansoni	thyroid hormone receptor	0.0039	0.2693	0.7273
Brugia malayi	hypothetical protein	0.0021	0.0183	0.0183
Onchocerca volvulus		0.0093	1	1
Toxoplasma gondii	Zn-containing alcohol dehydrogenase	0.0019	0	0.5
Mycobacterium tuberculosis	Polyketide synthase Pks2	0.0019	0	0.5
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0021	0.0183	0.0494
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0183	0.0183
Loa Loa (eye worm)	hypothetical protein	0.0039	0.2693	0.2693
Trypanosoma brucei	oxidoreductase, putative	0.0019	0	0.5
Brugia malayi	Nuclear hormone receptor-like 1	0.0021	0.0183	0.0183
Echinococcus multilocularis	neurogenic locus notch protein	0.0046	0.3702	0.5241
Toxoplasma gondii	type I fatty acid synthase, putative	0.0019	0	0.5
Brugia malayi	hypothetical protein	0.0021	0.0183	0.0183
Brugia malayi	Steroid receptor seven-up type 2	0.0039	0.2693	0.2693
Mycobacterium tuberculosis	S-nitrosomycothiol reductase MscR	0.0019	0	0.5
Trichomonas vaginalis	alcohol dehydrogenase, putative	0.0019	0	0.5
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0039	0.2693	0.7273
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0039	0.2693	0.7273
Mycobacterium leprae	Probable polyketide synthase Pks1	0.0019	0	0.5
Trypanosoma cruzi	NADP-dependent alcohol hydrogenase, putative	0.0019	0	0.5
Trypanosoma cruzi	NADP-dependent alcohol hydrogenase, putative	0.0019	0	0.5
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.2107	0.2983
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0039	0.2693	0.2693
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0183	0.0183
Brugia malayi	nuclear receptor NHR-88	0.0039	0.2693	0.2693
Echinococcus granulosus	slit 2 protein	0.0046	0.3702	0.5241
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0039	0.2693	0.2693
Mycobacterium tuberculosis	Probable polyketide synthase Pks1	0.0019	0	0.5
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0039	0.2693	0.3812
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0039	0.2693	0.3812
Mycobacterium leprae	Probable S-nitrosomycothiol reductase MscR	0.0019	0	0.5
Schistosoma mansoni	cell polarity protein	0.0046	0.3702	1
Leishmania major	oxidoreductase, putative	0.0019	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0183	0.0183
Onchocerca volvulus	Bile acid receptor homolog	0.0039	0.2693	0.2693
Echinococcus granulosus	FTZ F1 alpha	0.0039	0.2693	0.3812
Loa Loa (eye worm)	hypothetical protein	0.0046	0.3702	0.3702
Schistosoma mansoni	slit	0.0046	0.3702	1
Trypanosoma cruzi	oxidoreductase, putative	0.0019	0	0.5
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0039	0.2693	0.3812
Loa Loa (eye worm)	hypothetical protein	0.0039	0.2693	0.2693
Trichomonas vaginalis	alcohol dehydrogenase, putative	0.0019	0	0.5
Mycobacterium leprae	Probable oxidireductase	0.0019	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0039	0.2693	0.2693
Loa Loa (eye worm)	hypothetical protein	0.0093	1	1
Mycobacterium tuberculosis	Polyketide synthase Pks12	0.0019	0	0.5
Brugia malayi	ecdysteroid receptor	0.0039	0.2693	0.2693
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0021	0.0183	0.0259
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0039	0.2693	0.3812
Leishmania major	d-xylulose reductase, putative	0.0019	0	0.5
Echinococcus multilocularis	pikachurin	0.0046	0.3702	0.5241
Trypanosoma cruzi	nuclear receptor binding factor, putative	0.0019	0	0.5
Schistosoma mansoni	retinoic acid receptor RXR	0.0039	0.2693	0.7273
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0039	0.2693	0.3812
Trypanosoma brucei	Trans-2-enoyl-ACP reductase 2, putative	0.0019	0	0.5
Trypanosoma brucei	oxidoreductase, putative	0.0019	0	0.5
Leishmania major	nuclear receptor binding factor-like protein	0.0019	0	0.5
Mycobacterium tuberculosis	Probable polyketide synthase Pks8	0.0019	0	0.5
Onchocerca volvulus	Protein ultraspiracle homolog	0.0039	0.2693	0.2693
Leishmania major	oxidoreductase-like protein	0.0019	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0039	0.2693	0.2693
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0039	0.2693	0.3812
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0039	0.2693	0.2693
Brugia malayi	steroid hormone receptor	0.0039	0.2693	0.2693
Echinococcus granulosus	nuclear factor of activated T cells 5	0.0071	0.7064	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0039	0.2693	0.7273
Brugia malayi	Thrombospondin N-terminal -like domain containing protein	0.0046	0.3702	0.3702
Brugia malayi	EGF-like domain containing protein	0.0046	0.3702	0.3702
Schistosoma mansoni	RAR-like nuclear receptor	0.0039	0.2693	0.7273
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0039	0.2693	0.7273
Mycobacterium tuberculosis	Possible dehydrogenase	0.0019	0	0.5
Trypanosoma cruzi	nuclear receptor binding factor, putative	0.0019	0	0.5
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0021	0.0183	0.0183

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= 26.58 %	Hypotensive activity in anaesthetized cat assessed as blood pressure fall at 2 umol/kg, iv	ChEMBL.	17234413

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 454136