TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 303.168 | Formula: C10H8Cl2N4OS
H donors: 1 H acceptors: 4 LogP: 3.22 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CCc1nnc(s1)NC(=O)c1nc(Cl)ccc1Cl
InChi: 1S/C10H8Cl2N4OS/c1-2-7-15-16-10(18-7)14-9(17)8-5(11)3-4-6(12)13-8/h3-4H,2H2,1H3,(H,14,16,17)
InChiKey: NZDGNNNQKYWXQD-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0054	0.1162
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0465	0.2232
Onchocerca volvulus		0.0026	0.0061	0.1748
Brugia malayi	nuclear hormone receptor	0.0047	0.0348	0.7485
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0047	0.0348	0.2444
Schistosoma mansoni	coup transcription factor	0.0047	0.0348	0.1671
Schistosoma mansoni	nuclear hormone receptor	0.0047	0.0348	0.1671
Brugia malayi	steroid hormone receptor	0.0047	0.0348	0.7485
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0047	0.0348	0.7485
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0061	0.1308
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0025	0.0037	0.0179
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0299	0.2102
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0061	0.1308
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0047	0.0348	0.2444
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0037	0.0802
Brugia malayi	Nuclear hormone receptor-like 1	0.0025	0.0037	0.0802
Mycobacterium ulcerans	peptide deformylase	0.0735	1	0.5
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0025	0.0037	0.0802
Echinococcus granulosus	lamin	0.0026	0.0061	0.0427
Onchocerca volvulus	Bile acid receptor homolog	0.0047	0.0348	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0047	0.0348	0.7485
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0348	0.7485
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0047	0.0348	0.7485
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0047	0.0348	0.7485
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0465	0.2232
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0047	0.0348	0.1671
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0047	0.0348	0.7485
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0124	0.1423	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0047	0.0348	0.1671
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0348	0.7485
Plasmodium falciparum	peptide deformylase	0.0735	1	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0047	0.0348	0.7485
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0047	0.0348	0.2444
Echinococcus granulosus	ecdysone induced protein 78C	0.0047	0.0348	0.2444
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0124	0.1423	0.6837
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0465	0.2232
Schistosoma mansoni	hypothetical protein	0.0124	0.1423	0.6837
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0047	0.0348	0.7485
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0037	0.0802
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0047	0.0348	0.7485
Echinococcus multilocularis	FTZ F1 alpha	0.0047	0.0348	0.1671
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0025	0.0037	0.0262
Trypanosoma cruzi	Peptide deformylase 2, putative	0.028	0.3624	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0465	0.2232
Schistosoma mansoni	thyroid hormone receptor	0.017	0.2081	1
Onchocerca volvulus		0.0047	0.0348	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0465	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0047	0.0348	0.1671
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0025	0.0037	0.0179
Echinococcus granulosus	intermediate filament protein	0.0026	0.0061	0.0427
Mycobacterium tuberculosis	Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase)	0.0735	1	0.5
Plasmodium vivax	peptide deformylase, putative	0.0735	1	0.5
Toxoplasma gondii	hypothetical protein	0.0735	1	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0047	0.0348	0.7485
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0061	0.1308
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0025	0.0037	0.0179
Brugia malayi	intermediate filament protein	0.0026	0.0061	0.1308
Schistosoma mansoni	hypothetical protein	0.0043	0.0299	0.1437
Trypanosoma cruzi	Peptide deformylase 2, putative	0.028	0.3624	0.5
Schistosoma mansoni	thyroid hormone receptor	0.017	0.2081	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0348	0.7485
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0047	0.0348	0.1671
Mycobacterium leprae	PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE)	0.0735	1	0.5
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0047	0.0348	0.1671
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0348	0.7485
Entamoeba histolytica	hypothetical protein	0.0043	0.0299	0.5
Loa Loa (eye worm)	steroid hormone receptor	0.0047	0.0348	0.7485
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0047	0.0348	0.7485
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0047	0.0348	0.2444
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0348	0.7485
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0465	0.2232
Schistosoma mansoni	RAR-like nuclear receptor	0.0047	0.0348	0.1671
Treponema pallidum	polypeptide deformylase (def)	0.0735	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0348	0.7485
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0061	0.0292
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0047	0.0348	0.7485
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0348	0.7485
Echinococcus granulosus	lamin dm0	0.0026	0.0061	0.0427
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0047	0.0348	0.7485
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0465	0.3265
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0047	0.0348	0.1671
Leishmania major	polypeptide deformylase-like protein, putative	0.028	0.3624	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0037	0.0802
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0047	0.0348	0.1671
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0047	0.0348	0.7485
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0047	0.0348	0.1671
Trypanosoma brucei	Peptide deformylase 2	0.028	0.3624	0.5
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0047	0.0348	0.1671
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0047	0.0348	0.7485
Echinococcus multilocularis	lamin	0.0026	0.0061	0.0292
Brugia malayi	nuclear receptor NHR-88	0.0047	0.0348	0.7485
Brugia malayi	hypothetical protein	0.0025	0.0037	0.0802
Trypanosoma cruzi	polypeptide deformylase-like protein, putative	0.028	0.3624	0.5
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0047	0.0348	0.2444
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0047	0.0348	0.2444
Onchocerca volvulus		0.0026	0.0061	0.1748
Entamoeba histolytica	hypothetical protein	0.0043	0.0299	0.5
Brugia malayi	hypothetical protein	0.0025	0.0037	0.0802
Trypanosoma cruzi	polypeptide deformylase-like protein, putative	0.028	0.3624	0.5
Schistosoma mansoni	lamin	0.0026	0.0061	0.0292
Echinococcus multilocularis	musashi	0.0026	0.0061	0.0292
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0047	0.0348	0.2444
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0061	0.1308
Onchocerca volvulus	Protein ultraspiracle homolog	0.0047	0.0348	1
Brugia malayi	ecdysteroid receptor	0.0047	0.0348	0.7485
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0047	0.0348	0.7485
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0465	0.3265
Brugia malayi	Steroid receptor seven-up type 2	0.0047	0.0348	0.7485
Echinococcus granulosus	FTZ F1 alpha	0.0047	0.0348	0.2444
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0299	0.1437
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0047	0.0348	0.7485
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0047	0.0348	0.1671
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0299	0.1437
Echinococcus multilocularis	thyroid hormone receptor alpha	0.017	0.2081	1
Wolbachia endosymbiont of Brugia malayi	peptide deformylase	0.0735	1	0.5
Brugia malayi	hypothetical protein	0.0043	0.0299	0.6439
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0047	0.0348	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0047	0.0348	0.7485
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0047	0.0348	0.7485
Entamoeba histolytica	hypothetical protein	0.0043	0.0299	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0037	0.0802
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0047	0.0348	0.1671
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0047	0.0348	0.7485
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0047	0.0348	0.1671
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0348	0.7485
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0047	0.0348	0.7485
Brugia malayi	Nuclear hormone receptor-like 1	0.0025	0.0037	0.0802
Trypanosoma brucei	Polypeptide deformylase 1	0.028	0.3624	0.5
Schistosoma mansoni	lamin	0.0026	0.0061	0.0292
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0047	0.0348	0.1671
Echinococcus multilocularis	lamin dm0	0.0026	0.0061	0.0292
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0465	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0047	0.0348	0.1671
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0047	0.0348	0.1671
Brugia malayi	Nuclear hormone receptor-like 1	0.0047	0.0348	0.7485
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0037	0.0802
Brugia malayi	nuclear receptor RXR	0.0025	0.0037	0.0802
Entamoeba histolytica	hypothetical protein	0.0043	0.0299	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0047	0.0348	0.7485

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.8913 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 10 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	14.1254 uM	PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 56.2341 um	PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)]	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	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: CHEMBL1302974

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 1460584