TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 353.63 | Formula: C16H11Cl3N2O
H donors: 0 H acceptors: 2 LogP: 5.43 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccccc1Oc1nc(nc2c1cccc2)C(Cl)(Cl)Cl
InChi: 1S/C16H11Cl3N2O/c1-10-6-2-5-9-13(10)22-14-11-7-3-4-8-12(11)20-15(21-14)16(17,18)19/h2-9H,1H3
InChiKey: FOYFRVXIRGBBMK-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	cadherin EGF LAG seven pass G type receptor	0.0016	0.2146	0.2227
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.7362	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.2146	0.1677
Schistosoma mansoni	cpg binding protein	0.0032	0.4688	0.4688
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0542	1
Schistosoma mansoni	hypothetical protein	0.0016	0.2146	0.2146
Schistosoma mansoni	hypothetical protein	0.0016	0.2146	0.2146
Entamoeba histolytica	hypothetical protein	0.0004	0	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.8054	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0542	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0956	0.0453
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.7362	0.9028
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0542	1
Echinococcus multilocularis	GPCR, family 2	0.0016	0.2146	0.2227
Onchocerca volvulus		0.003	0.4403	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.7362	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0542	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0542	1
Brugia malayi	CXXC zinc finger family protein	0.003	0.4403	0.4871
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.7362	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0651	0.0651
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.5319	0.6158
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0542	1
Schistosoma mansoni	cpg binding protein	0.003	0.4403	0.4403
Schistosoma mansoni	hypothetical protein	0.0016	0.2146	0.2146
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.2146	0.17
Plasmodium falciparum	zinc finger protein, putative	0.0004	0	0.5
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0956	0.0453
Echinococcus granulosus	cpg binding protein	0.0032	0.4688	0.6015
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0542	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0542	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.8054	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0542	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.2146	0.1677
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0542	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.7362	0.7362
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0542	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0542	1
Echinococcus granulosus	GPCR family 2	0.0016	0.2146	0.2227
Schistosoma mansoni	cpg binding protein	0.0032	0.4688	0.4688
Schistosoma mansoni	hypothetical protein	0.0036	0.5319	0.5319
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0542	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.5319	0.6148
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.2146	0.17
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.7362	0.7362
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.7362	0.9025
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0542	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.2146	0.2227
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.2146	0.2227
Trichomonas vaginalis	helicase, putative	0.0007	0.0542	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0004	0.0127	0.0127
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0542	1
Schistosoma mansoni	hypothetical protein	0.0016	0.2146	0.2146
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.2146	0.2227
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0542	1
Loa Loa (eye worm)	CXXC zinc finger family protein	0.003	0.4403	0.4857
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.8054	1
Echinococcus multilocularis	cpg binding protein	0.0032	0.4688	0.6015
Loa Loa (eye worm)	hypothetical protein	0.0052	0.8054	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0542	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.7362	0.7362
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.7362	1
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0057	0.8869	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
CC50 (ADMET)	= 25.1 uM	Cytotoxicity against human HepG2 cells after 72 hrs by MTT assay	ChEMBL.	21741131
IC50 (functional)	= 5.5 uM	Antiplasmodial activity against chloroquine, pyrimethamine and proguanil-resistant Plasmodium falciparum W2 infected in human A positive erythrocytes after 72 hrs by SYBR Green I assay	ChEMBL.	21741131

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23	21741131

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: CHEMBL1822436

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 1034504