TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 364.484 | Formula: C20H16N2OS2
H donors: 0 H acceptors: 2 LogP: 5.38 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CN(c1c(sc2c1ccc(n2)c1cccs1)C(=O)c1ccccc1)C
InChi: 1S/C20H16N2OS2/c1-22(2)17-14-10-11-15(16-9-6-12-24-16)21-20(14)25-19(17)18(23)13-7-4-3-5-8-13/h3-12H,1-2H3
InChiKey: VHCKWFVOLHCKHM-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
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.0081	0.0051
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0054	0.0117	0.0323
Schistosoma mansoni	alpha-glucosidase	0.0461	0.339	1
Schistosoma mansoni	biogenic amine receptor	0.0043	0.003	0.0089
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0043	0.003	0.0089
Schistosoma mansoni	neuropeptide receptor	0.0043	0.003	0.0089
Schistosoma mansoni	hypothetical protein	0.0043	0.003	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0043	0.003	0.0083
Trypanosoma cruzi	hypothetical protein, conserved	0.0096	0.0453	1
Loa Loa (eye worm)	TYRA-2 protein	0.0043	0.003	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0043	0.003	0.0083
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0043	0.003	0.0089
Schistosoma mansoni	growth hormone secretagogue receptor	0.0043	0.003	0.0089
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0043	0.003	0.0089
Onchocerca volvulus		0.0461	0.339	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0096	0.0453	0.4213
Brugia malayi	Amylo-alpha-1,6-glucosidase family protein	0.0137	0.0784	0.2094
Loa Loa (eye worm)	G-protein coupled receptor	0.0043	0.003	0.0083
Schistosoma mansoni	opsin-like receptor	0.0043	0.003	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0043	0.003	0.0083
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0054	0.0117	0.0241
Schistosoma mansoni	hypothetical protein	0.0043	0.003	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0043	0.003	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0043	0.003	0.0083
Echinococcus multilocularis	thymidine phosphorylase	0.1282	1	1
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0096	0.0453	0.4213
Loa Loa (eye worm)	hypothetical protein	0.0043	0.003	0.0083
Onchocerca volvulus	Uncharacterized family 31 glucosidase KIAA1161 homolog	0.0066	0.0212	0.054
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0081	0.024
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0066	0.0212	0.0504
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0491	0.3631	0.3612
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0043	0.003	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0043	0.003	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0043	0.003	0.0083
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0096	0.0453	0.1247
Loa Loa (eye worm)	amylo-alpha-1,6-glucosidase	0.0067	0.0218	0.0602
Loa Loa (eye worm)	hypothetical protein	0.0043	0.003	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0043	0.003	0.0083
Leishmania major	alpha glucosidase II subunit, putative	0.0096	0.0453	1
Schistosoma mansoni	biogenic amine receptor	0.0043	0.003	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0043	0.003	0.0083
Mycobacterium tuberculosis	Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase)	0.1282	1	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.003	0.0083
Loa Loa (eye worm)	neuropeptide F receptor	0.0043	0.003	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0043	0.003	0.0083
Trichomonas vaginalis	alpha-glucosidase, putative	0.0096	0.0453	0.4213
Trichomonas vaginalis	alpha-glucosidase, putative	0.0096	0.0453	0.4213
Loa Loa (eye worm)	hypothetical protein	0.0043	0.003	0.0083
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0043	0.003	0.0089
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0043	0.003	0.0083
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0043	0.003	0.0089
Loa Loa (eye worm)	G-protein coupled receptor	0.0043	0.003	0.0083
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0043	0.003	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0043	0.003	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0043	0.003	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0043	0.003	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0043	0.003	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0043	0.003	0.0083
Schistosoma mansoni	hypothetical protein	0.0176	0.1099	0.3242
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0043	0.003	0.0089
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0043	0.003	0.0089
Schistosoma mansoni	opsin-like receptor	0.0043	0.003	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0043	0.003	0.0083
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0491	0.3631	1
Echinococcus granulosus	lysosomal alpha glucosidase	0.0491	0.3631	0.3612
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0049	0.0076	0.0046
Schistosoma mansoni	neuropeptide receptor	0.0043	0.003	0.0089
Mycobacterium ulcerans	thymidine phosphorylase	0.1282	1	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.003	0.0083
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0043	0.003	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0117	0.0323
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0043	0.003	0.0089
Echinococcus granulosus	neutral alpha glucosidase AB	0.0096	0.0453	0.0424
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0043	0.003	0.0083
Trichomonas vaginalis	alpha-glucosidase, putative	0.0096	0.0453	0.4213
Trichomonas vaginalis	alpha-glucosidase, putative	0.0096	0.0453	0.4213
Schistosoma mansoni	adenoreceptor	0.0043	0.003	0.0089
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0491	0.3631	0.3612
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0043	0.003	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0043	0.003	0.0083
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0096	0.0453	0.4213
Schistosoma mansoni	hypothetical protein	0.0043	0.003	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0043	0.003	0.0083
Entamoeba histolytica	glycogen debranching enzyme, putative	0.0137	0.0784	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.003	0.0083
Schistosoma mansoni	metabotropic glutamate receptor	0.0329	0.2329	0.6872
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0096	0.0453	0.4213
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0081	0.024
Mycobacterium leprae	Probable anthranilate phosphoribosyltransferase TrpD	0.0362	0.2594	0.5
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0043	0.003	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0043	0.003	0.0083
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0043	0.003	0.0089
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0043	0.003	0.0089
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0043	0.003	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0043	0.003	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0043	0.003	0.0083
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0043	0.003	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0043	0.003	0.0083
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0043	0.003	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0043	0.003	0.0083
Schistosoma mansoni	amine GPCR	0.0043	0.003	0.0089
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0054	0.0117	0.0241
Schistosoma mansoni	biogenic amine receptor	0.0043	0.003	0.0089
Schistosoma mansoni	amine GPCR	0.0043	0.003	0.0089
Schistosoma mansoni	alpha glucosidase	0.0096	0.0453	0.1336
Loa Loa (eye worm)	hypothetical protein	0.0043	0.003	0.0083
Loa Loa (eye worm)	melatonin receptor type 1A	0.0043	0.003	0.0083
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.0081	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0043	0.003	0.0083
Schistosoma mansoni	hypothetical protein	0.0043	0.003	0.0089
Schistosoma mansoni	opsin-like receptor	0.0043	0.003	0.0089
Echinococcus multilocularis	glycogen debranching enzyme	0.0137	0.0784	0.0756
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0212	0.0583
Schistosoma mansoni	neuropeptide receptor	0.0043	0.003	0.0089
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.005	0.0081	0.0142
Loa Loa (eye worm)	hypothetical protein	0.0043	0.003	0.0083
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0096	0.0453	0.4213
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0096	0.0453	0.4213
Echinococcus granulosus	glycogen debranching enzyme	0.0137	0.0784	0.0756
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0076	0.0209
Loa Loa (eye worm)	hypothetical protein	0.0043	0.003	0.0083
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0043	0.003	0.0083
Schistosoma mansoni	amine GPCR	0.0043	0.003	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0137	0.0784	0.216
Trypanosoma brucei	glucosidase, putative	0.0096	0.0453	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.003	0.0083
Schistosoma mansoni	amine GPCR	0.0043	0.003	0.0089
Schistosoma mansoni	neuropeptide f receptor 76f	0.0043	0.003	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0043	0.003	0.0083
Toxoplasma gondii	Amylo-alpha-1,6-glucosidase	0.0137	0.0784	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.003	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0043	0.003	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0043	0.003	0.0083
Loa Loa (eye worm)	neuropeptide F receptor	0.0043	0.003	0.0083
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.005	0.0081	0.0224
Schistosoma mansoni	neuropeptide F-like receptor	0.0043	0.003	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0043	0.003	0.0083
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.0081	0.0051
Schistosoma mansoni	amine GPCR	0.0043	0.003	0.0089
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0043	0.003	0.0089
Trypanosoma cruzi	hypothetical protein, conserved	0.0096	0.0453	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0081	0.024
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0096	0.0453	0.0424
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.0049	0.0076	0.0046
Trichomonas vaginalis	glycogen debranching enzyme, putative	0.0137	0.0784	1
Schistosoma mansoni	neuropeptide receptor	0.0043	0.003	0.0089
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0043	0.003	0.0089
Trichomonas vaginalis	conserved hypothetical protein	0.007	0.0248	0.0628
Schistosoma mansoni	histamine h1 receptor	0.0043	0.003	0.0089
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0043	0.003	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0043	0.003	0.0083
Schistosoma mansoni	neuropeptide F-like receptor	0.0043	0.003	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0043	0.003	0.0083
Schistosoma mansoni	hypothetical protein	0.0099	0.0478	0.141
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0096	0.0453	0.1173
Schistosoma mansoni	myosin xvIII	0.0043	0.003	0.0089
Trichomonas vaginalis	glycogen debranching enzyme, putative	0.0137	0.0784	1
Brugia malayi	metabotropic glutamate receptor type 2	0.0049	0.0076	0.0127
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0096	0.0453	0.4213
Loa Loa (eye worm)	hypothetical protein	0.0043	0.003	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0043	0.003	0.0083
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0043	0.003	0.0089
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0043	0.003	0.0089
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0491	0.3631	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0043	0.003	0.0089
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.0081	0.0051
Giardia lamblia	4-alpha-glucanotransferase, amylo-alpha-1,6-glucosidase	0.0137	0.0784	0.5
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0043	0.003	0.0083
Schistosoma mansoni	alpha-glucosidase	0.0461	0.339	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.003	0.0083
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0043	0.003	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0043	0.003	0.0083
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0043	0.003	0.0083

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	> 4000 ng ml-1	Effective concentration required to cause cytotoxicity to tumorigenic cell line WI-38 VA-13 subline 2RA	ChEMBL.	15177443
EC50 (functional)	> 4000 ng ml-1	Effective concentration required to cause cytotoxicity to tumorigenic cell line WI-38 VA-13 subline 2RA	ChEMBL.	15177443

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 203058