TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 387.883 | Formula: C19H18ClN3O2S
H donors: 1 H acceptors: 2 LogP: 3.84 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(c(c1)Cl)NC(=O)c1sc2c(c1C)c(=O)n1c(n2)CCCC1
InChi: 1S/C19H18ClN3O2S/c1-10-6-7-13(12(20)9-10)21-17(24)16-11(2)15-18(26-16)22-14-5-3-4-8-23(14)19(15)25/h6-7,9H,3-5,8H2,1-2H3,(H,21,24)
InChiKey: VFNDQNHALFAAJP-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
Brugia malayi	bZIP transcription factor family protein	0.0264	0.3271	0.3271
Entamoeba histolytica	hypothetical protein	0.011	0.1101	0.5
Loa Loa (eye worm)	transcription factor SMAD2	0.0124	0.1299	0.1299
Trypanosoma cruzi	PAB1-binding protein , putative	0.0077	0.0633	1
Schistosoma mansoni	hypothetical protein	0.011	0.1101	0.1595
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0457	0.0662
Brugia malayi	hypothetical protein	0.0077	0.0633	0.0633
Echinococcus multilocularis	tar DNA binding protein	0.0065	0.0457	0.0662
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0457	0.0662
Entamoeba histolytica	hypothetical protein	0.011	0.1101	0.5
Echinococcus multilocularis	jun protein	0.0264	0.3271	0.4738
Brugia malayi	MH2 domain containing protein	0.0124	0.1299	0.1299
Loa Loa (eye worm)	TAR-binding protein	0.0065	0.0457	0.0457
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0457	0.0662
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0065	0.0457	0.0457
Brugia malayi	hypothetical protein	0.0207	0.2469	0.2469
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0264	0.3271	0.4738
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.011	0.1101	0.1595
Loa Loa (eye worm)	MH2 domain-containing protein	0.0124	0.1299	0.1299
Schistosoma mansoni	hypothetical protein	0.052	0.6904	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0187	0.0271
Brugia malayi	TAR-binding protein	0.0065	0.0457	0.0457
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0264	0.3271	0.4738
Loa Loa (eye worm)	pax transcription factor protein 2	0.0739	1	1
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0964	0.0964
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0187	0.0187
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0457	0.0662
Echinococcus granulosus	geminin	0.052	0.6904	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0077	0.0633	1
Schistosoma mansoni	transcription factor LCR-F1	0.011	0.1101	0.1595
Echinococcus multilocularis	geminin	0.052	0.6904	1
Brugia malayi	RNA binding protein	0.0065	0.0457	0.0457
Plasmodium falciparum	ataxin-2 like protein, putative	0.0077	0.0633	1
Toxoplasma gondii	LsmAD domain-containing protein	0.0077	0.0633	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0187	0.0271
Echinococcus granulosus	tar DNA binding protein	0.0065	0.0457	0.0662
Brugia malayi	hypothetical protein	0.005	0.0245	0.0245
Brugia malayi	Steroid receptor seven-up type 2	0.011	0.1098	0.1098
Loa Loa (eye worm)	hypothetical protein	0.0256	0.3169	0.3169
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0633	0.0633
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0187	0.0187
Loa Loa (eye worm)	nuclear hormone receptor	0.01	0.0948	0.0948
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0033	0	0.5
Schistosoma mansoni	jun-related protein	0.0214	0.2572	0.3725
Entamoeba histolytica	hypothetical protein	0.011	0.1101	0.5
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0035	0.0029	0.0042
Schistosoma mansoni	hypothetical protein	0.0214	0.2572	0.3725
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0187	0.0271
Leishmania major	hypothetical protein, conserved	0.0077	0.0633	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0187	0.0271
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0187	0.0271
Schistosoma mansoni	hypothetical protein	0.052	0.6904	1
Onchocerca volvulus		0.0739	1	1
Plasmodium vivax	ataxin-2 like protein, putative	0.0077	0.0633	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0187	0.0271
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.011	0.1098	0.1591
Trypanosoma brucei	PAB1-binding protein , putative	0.0077	0.0633	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.011	0.1098	0.1591
Entamoeba histolytica	hypothetical protein	0.011	0.1101	0.5
Trypanosoma cruzi	PAB1-binding protein , putative	0.0077	0.0633	1
Schistosoma mansoni	hypothetical protein	0.0035	0.0029	0.0042
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0457	0.0662
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0187	0.0271
Brugia malayi	RNA recognition motif domain containing protein	0.0065	0.0457	0.0457
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.011	0.1101	0.1595
Loa Loa (eye worm)	RNA binding protein	0.0065	0.0457	0.0457
Brugia malayi	hypothetical protein	0.011	0.1101	0.1101
Echinococcus granulosus	jun protein	0.0264	0.3271	0.4738
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0035	0.0029	0.0042

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 868889