TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 349.807 | Formula: C17H13ClFNO2S
H donors: 1 H acceptors: 2 LogP: 4.27 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(c(c1)C)C1=Nc2ccc(cc2SC(C1)C(=O)O)Cl
InChi: 1S/C17H13ClFNO2S/c1-9-6-11(19)3-4-12(9)14-8-16(17(21)22)23-15-7-10(18)2-5-13(15)20-14/h2-7,16H,8H2,1H3,(H,21,22)
InChiKey: OWIZRESWKVSPEW-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 granulosus	FTZ F1 nuclear receptor protein	0.0027	0.0392	0.0392
Echinococcus granulosus	ecdysone induced protein 78C	0.0027	0.0392	0.0392
Loa Loa (eye worm)	hypothetical protein	0.0092	0.2399	0.3319
Brugia malayi	follicle stimulating hormone receptor	0.025	0.7228	1
Schistosoma mansoni	NAD dehydrogenase	0.0014	0.0006	0.0013
Schistosoma mansoni	coup transcription factor	0.0027	0.0392	0.08
Loa Loa (eye worm)	hypothetical protein	0.0174	0.4901	0.6781
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0027	0.0392	0.0542
Echinococcus multilocularis	survival motor neuron protein 1	0.0238	0.6867	0.6867
Echinococcus granulosus	dual specificity	0.0093	0.2413	0.2413
Schistosoma mansoni	fad oxidoreductase	0.0014	0.0006	0.0013
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.1023	0.1415
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0315	0.1282
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0027	0.0392	0.0392
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0027	0.0392	0.08
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0027	0.0392	0.0392
Brugia malayi	dimethylglycine dehydrogenase, mitochondrial precursor, putative	0.0014	0.0006	0.0008
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.1023	0.2087
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0027	0.0392	0.0392
Loa Loa (eye worm)	MH2 domain-containing protein	0.0124	0.3377	0.4672
Brugia malayi	RNA binding protein	0.0066	0.1586	0.2194
Loa Loa (eye worm)	hypothetical protein	0.005	0.1089	0.1507
Brugia malayi	hypothetical protein	0.0238	0.6867	0.95
Schistosoma mansoni	d-amino acid oxidase	0.0174	0.4901	1
Onchocerca volvulus		0.0049	0.1051	0.9651
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0392	0.0542
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0006	0.0008
Loa Loa (eye worm)	glutamate receptor	0.0017	0.0088	0.0122
Mycobacterium leprae	PROBABLE D-AMINO ACID OXIDASE AAO	0.0174	0.4901	1
Echinococcus granulosus	glycerol 3 phosphate dehydrogenase	0.0014	0.0006	0.0006
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0315	1
Schistosoma mansoni	ATP:guanidino kinase (Smc74)	0.0014	0.0006	0.0013
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0044	0.0901	0.1247
Schistosoma mansoni	thyroid hormone receptor	0.0027	0.0392	0.08
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0027	0.0392	0.0542
Brugia malayi	photoreceptor-specific nuclear receptor	0.0027	0.0392	0.0542
Schistosoma mansoni	hypothetical protein	0.0049	0.1051	0.2145
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.1023	0.1023
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0027	0.0392	0.08
Brugia malayi	Nuclear hormone receptor-like 1	0.0027	0.0392	0.0542
Onchocerca volvulus	Protein ultraspiracle homolog	0.0027	0.0392	0.3563
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0392	0.0542
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0027	0.0392	0.0542
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.1023	0.1023
Brugia malayi	metabotropic glutamate receptor type 2	0.0021	0.0214	0.0297
Mycobacterium ulcerans	D-amino acid oxidase Aao	0.0174	0.4901	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0027	0.0392	0.0392
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0392	0.0542
Brugia malayi	Steroid receptor seven-up type 2	0.0027	0.0392	0.0542
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0066	0.1586	0.2194
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.1586	0.3235
Onchocerca volvulus		0.0027	0.0392	0.3563
Schistosoma mansoni	serine/threonine protein kinase	0.0093	0.2413	0.4924
Echinococcus multilocularis	dual specificity	0.0093	0.2413	0.2413
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0027	0.0392	0.0542
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0027	0.0392	0.08
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1211	0.1676
Echinococcus multilocularis	FAD dependent oxidoreductase domain containing protein	0.0014	0.0006	0.0006
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0027	0.0392	0.0542
Loa Loa (eye worm)	RNA binding protein	0.0066	0.1586	0.2194
Echinococcus granulosus	survival motor neuron protein 1	0.0238	0.6867	0.6867
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0027	0.0392	0.0392
Giardia lamblia	Glycerol-3-phosphate dehydrogenase	0.0014	0.0006	0.5
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0392	0.0542
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0027	0.0392	0.0542
Echinococcus multilocularis	FTZ F1 alpha	0.0027	0.0392	0.0392
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.1023	0.1023
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0006	0.0008
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.1023	0.1023
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0006	0.0008
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0027	0.0392	0.0542
Entamoeba histolytica	protein kinase, putative	0.0093	0.2413	1
Echinococcus multilocularis	glycerol 3 phosphate dehydrogenase	0.0014	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0392	0.0542
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0027	0.0392	0.08
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0027	0.0392	0.0392
Brugia malayi	Protein kinase domain containing protein	0.0093	0.2413	0.3339
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0027	0.0392	0.0542
Schistosoma mansoni	fad oxidoreductase	0.0014	0.0006	0.0013
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0027	0.0392	0.0392
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0315	1
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0093	0.2413	1
Brugia malayi	RNA recognition motif domain containing protein	0.0066	0.1586	0.2194
Loa Loa (eye worm)	glutamate receptor	0.0044	0.0901	0.1247
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0027	0.0392	0.0392
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.1586	0.3235
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0093	0.2413	0.3339
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0027	0.0392	0.0542
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0315	0.0435
Entamoeba histolytica	protein kinase domain containing protein	0.0093	0.2413	1
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.004	0.0775	0.1073
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.0054	0.1211	0.1211
Schistosoma mansoni	survival motor neuron protein	0.0049	0.1051	0.2145
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.1586	0.3235
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0027	0.0392	0.0542
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0027	0.0392	0.0542
Echinococcus multilocularis	ecdysone induced protein 78C	0.0027	0.0392	0.0392
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0027	0.0392	0.0392
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0027	0.0392	0.0542
Chlamydia trachomatis	D-amino acid dehydrogenase	0.0014	0.0006	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0027	0.0392	0.0542
Brugia malayi	hypothetical protein	0.0016	0.0048	0.0066
Loa Loa (eye worm)	glycerol-3-phosphate dehydrogenase	0.0014	0.0006	0.0008
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0027	0.0392	0.0542
Schistosoma mansoni	cellular tumor antigen P53	0.005	0.1089	0.2222
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0315	0.1282
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0392	0.0542
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0054	0.1211	0.1211
Entamoeba histolytica	hypothetical protein	0.0093	0.2413	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0027	0.0392	0.0542
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0315	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.1023	0.2087
Brugia malayi	MH2 domain containing protein	0.0124	0.3377	0.4672
Brugia malayi	pyruvate dehydrogenase phosphatase regulatory subunit precursor	0.0014	0.0006	0.0008
Entamoeba histolytica	protein kinase, putative	0.0093	0.2413	1
Brugia malayi	nuclear receptor NHR-88	0.0027	0.0392	0.0542
Echinococcus multilocularis	tumor protein p63	0.034	1	1
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0315	1
Echinococcus granulosus	tar DNA binding protein	0.0066	0.1586	0.1586
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	0.0093	0.2413	1
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0037	0.0684	0.0684
Loa Loa (eye worm)	hypothetical protein	0.0092	0.2399	0.3319
Loa Loa (eye worm)	transcription factor SMAD2	0.0124	0.3377	0.4672
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0027	0.0392	0.0392
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0027	0.0392	0.0542
Brugia malayi	steroid hormone receptor	0.0027	0.0392	0.0542
Schistosoma mansoni	nuclear hormone receptor	0.0027	0.0392	0.08
Brugia malayi	ecdysteroid receptor	0.0027	0.0392	0.0542
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0093	0.2413	1
Schistosoma mansoni	thyroid hormone receptor	0.0027	0.0392	0.08
Schistosoma mansoni	metabotropic glutamate receptor	0.0037	0.0684	0.1395
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0027	0.0392	0.08
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0027	0.0392	0.3563
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0392	0.0542
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.005	0.1085	0.2214
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0027	0.0392	0.0542
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0037	0.0684	0.0684
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0027	0.0392	0.08
Mycobacterium tuberculosis	Probable D-amino acid oxidase Aao	0.0159	0.4456	1
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.025	0.7228	1
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.1586	0.3235
Brugia malayi	TAR-binding protein	0.0066	0.1586	0.2194
Brugia malayi	RE18450p	0.0014	0.0006	0.0008
Echinococcus multilocularis	tar DNA binding protein	0.0066	0.1586	0.1586
Brugia malayi	nuclear hormone receptor	0.0027	0.0392	0.0542
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0027	0.0392	0.08
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0392	0.0542
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0027	0.0392	0.0542
Loa Loa (eye worm)	hypothetical protein	0.0238	0.6867	0.95
Loa Loa (eye worm)	steroid hormone receptor	0.0027	0.0392	0.0542
Brugia malayi	hypothetical protein	0.0025	0.0315	0.0435
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0027	0.0392	0.0392
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.1023	0.2087
Onchocerca volvulus		0.005	0.1089	1
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0093	0.2413	1
Onchocerca volvulus	Bile acid receptor homolog	0.0027	0.0392	0.3563
Leishmania major	hypothetical protein, conserved	0.0025	0.0315	0.1282
Schistosoma mansoni	RAR-like nuclear receptor	0.0027	0.0392	0.08
Schistosoma mansoni	metabotropic glutamate receptor	0.0021	0.0214	0.0437
Loa Loa (eye worm)	TAR-binding protein	0.0066	0.1586	0.2194
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.1023	0.1415
Echinococcus granulosus	FAD dependent oxidoreductase domain containing protein	0.0014	0.0006	0.0006
Schistosoma mansoni	retinoic acid receptor RXR	0.0027	0.0392	0.08
Echinococcus granulosus	FTZ F1 alpha	0.0027	0.0392	0.0392
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0027	0.0392	0.0392
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.1586	0.3235
Schistosoma mansoni	glycerol-3-phosphate dehydrogenase	0.0014	0.0006	0.0013
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0315	0.1282
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0027	0.0392	0.0542
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0049	0.1051	0.1454
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0027	0.0392	0.0542
Brugia malayi	cDNA sequence BC016226	0.0014	0.0006	0.0008
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0027	0.0392	0.0392

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	= 6.8 mM	Photocytotoxicity against human HL60 cells irradiated with 2.5 J cm^-2 ultraviolet radiation after 72 hrs by MTT assay	ChEMBL.	18023182
GI50 (functional)	= 6.8 mM	Photocytotoxicity against human HL60 cells irradiated with 2.5 J cm^-2 ultraviolet radiation after 72 hrs by MTT assay	ChEMBL.	18023182
GI50 (functional)	> 10 mM	Photocytotoxicity against human HL60 cells irradiated with 1.25 J cm^-2 ultraviolet radiation after 72 hrs by MTT assay	ChEMBL.	18023182
GI50 (functional)	> 10 mM	Photocytotoxicity against human HL60 cells irradiated with 1.25 J cm^-2 ultraviolet radiation after 72 hrs by MTT assay	ChEMBL.	18023182

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 504749