TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 334.2 | Formula: C16H13Cl2N3O
H donors: 0 H acceptors: 2 LogP: 4.29 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(c(c1)Cl)c1cn2c(n1)ccc(n2)OCC1CC1
InChi: 1S/C16H13Cl2N3O/c17-11-3-4-12(13(18)7-11)14-8-21-15(19-14)5-6-16(20-21)22-9-10-1-2-10/h3-8,10H,1-2,9H2
InChiKey: LPJCJTCTOHMHEJ-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	photoreceptor-specific nuclear receptor	0.0072	0.209	0.7134
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0906	0.2277
Loa Loa (eye worm)	steroid hormone receptor	0.0072	0.209	0.5827
Loa Loa (eye worm)	hypothetical protein	0.0072	0.209	0.5827
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0034	0.0906	0.0906
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1032	0.2657
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0097	0.2871	0.8168
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0072	0.209	0.2554
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0072	0.209	0.5827
Brugia malayi	nuclear hormone receptor family member odr-7	0.0034	0.0906	0.2787
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0019	0.0429	0.5
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0072	0.209	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0072	0.209	0.5827
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0034	0.0906	0.0771
Echinococcus granulosus	ecdysone induced protein 78C	0.0072	0.209	0.2554
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0019	0.0429	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0072	0.209	0.2554
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0034	0.0906	0.0998
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0034	0.0906	0.2787
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0019	0.0429	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0072	0.209	0.7134
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0072	0.209	0.7134
Schistosoma mansoni	ap endonuclease	0.0019	0.0429	0.0429
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0072	0.209	0.7134
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0906	0.2277
Loa Loa (eye worm)	hypothetical protein	0.0072	0.209	0.5827
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1032	0.2657
Schistosoma mansoni	DNA helicase recq5	0.001	0.0146	0.0146
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0034	0.0906	0.0771
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0072	0.209	0.2554
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0019	0.0429	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0072	0.209	0.209
Brugia malayi	hypothetical protein	0.0034	0.0906	0.2787
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0906	0.2277
Brugia malayi	nuclear hormone receptor	0.0034	0.0906	0.2787
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0038	0.1032	0.1032
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0906	0.2277
Loa Loa (eye worm)	hypothetical protein	0.0072	0.209	0.5827
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.002	0.0482	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1032	0.2657
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0034	0.0906	0.2787
Loa Loa (eye worm)	hypothetical protein	0.0117	0.3482	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0097	0.2871	0.3579
Brugia malayi	Nuclear hormone receptor E75	0.0034	0.0906	0.2787
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0906	0.2277
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0072	0.209	0.209
Echinococcus granulosus	nuclear receptor nhr 48	0.0034	0.0906	0.0998
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0429	0.0371
Echinococcus multilocularis	ecdysone induced protein 78C	0.0072	0.209	0.1973
Loa Loa (eye worm)	DR-78	0.0034	0.0906	0.2277
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0072	0.209	0.1973
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0906	0.2277
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0072	0.209	0.209
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0146	0.3407
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0038	0.1032	0.1164
Brugia malayi	Nuclear hormone receptor E75	0.0034	0.0906	0.2787
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0072	0.209	0.5827
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0034	0.0906	0.0771
Brugia malayi	Nuclear hormone receptor-like 1	0.0072	0.209	0.7134
Brugia malayi	nuclear receptor NHR-88	0.0072	0.209	0.7134
Trichomonas vaginalis	DNA helicase recq1, putative	0.0023	0.057	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0072	0.209	0.5827
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0072	0.209	0.209
Brugia malayi	hypothetical protein	0.0034	0.0906	0.2787
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0072	0.209	0.7134
Brugia malayi	orphan nuclear receptor NR2E1	0.0034	0.0906	0.2787
Brugia malayi	ecdysteroid receptor	0.0072	0.209	0.7134
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.0429	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0072	0.209	0.5827
Schistosoma mansoni	retinoic acid receptor RXR	0.0072	0.209	0.209
Echinococcus granulosus	thyroid hormone receptor alpha	0.0034	0.0906	0.0998
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0072	0.209	0.7134
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0072	0.209	0.1973
Brugia malayi	tailless protein	0.0034	0.0906	0.2787
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0906	0.2277
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.0429	0.5
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0072	0.209	0.2554
Schistosoma mansoni	nuclear receptor	0.0034	0.0906	0.0906
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0097	0.2871	0.2871
Brugia malayi	Steroid receptor seven-up type 2	0.0072	0.209	0.7134
Schistosoma mansoni	RAR-like nuclear receptor	0.0072	0.209	0.209
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0429	0.1038
Loa Loa (eye worm)	hypothetical protein	0.0072	0.209	0.5827
Schistosoma mansoni	nuclear hormone receptor	0.0034	0.0906	0.0906
Onchocerca volvulus	Bile acid receptor homolog	0.0072	0.209	1
Onchocerca volvulus		0.0072	0.209	1
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0146	0.3407
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0097	0.2871	0.2765
Schistosoma mansoni	DNA helicase recq1	0.001	0.0146	0.0146
Trichomonas vaginalis	DNA helicase recq, putative	0.0023	0.057	1
Loa Loa (eye worm)	RecQ helicase	0.0023	0.057	0.1271
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0254	0.7758	0.7725
Loa Loa (eye worm)	hypothetical protein	0.0072	0.209	0.5827
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0072	0.209	0.1973
Schistosoma mansoni	ap endonuclease	0.0019	0.0429	0.0429
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0429	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0038	0.1032	0.1032
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0019	0.0429	1
Schistosoma mansoni	zinc finger protein	0.0034	0.0906	0.0906
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0034	0.0906	0.2277
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0072	0.209	0.209
Brugia malayi	ecdysone receptor	0.0034	0.0906	0.2787
Loa Loa (eye worm)	hypothetical protein	0.0072	0.209	0.5827
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0019	0.0429	0.5
Brugia malayi	Nuclear hormone receptor-like 1	0.0038	0.1032	0.3253
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0034	0.0906	0.0998
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0072	0.209	0.7134
Schistosoma mansoni	thyroid hormone receptor	0.0326	1	1
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0038	0.1032	0.0899
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0034	0.0906	0.2277
Schistosoma mansoni	nuclear hormone receptor	0.0072	0.209	0.209
Loa Loa (eye worm)	hypothetical protein	0.0072	0.209	0.5827
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0906	0.2277
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0097	0.2871	0.2871
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0034	0.0906	0.0998
Schistosoma mansoni	coup transcription factor	0.0072	0.209	0.209
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0072	0.209	0.7134
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0429	0.8408
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0034	0.0906	0.0998
Loa Loa (eye worm)	hypothetical protein	0.0072	0.209	0.5827
Brugia malayi	nuclear receptor NHR-67	0.0034	0.0906	0.2787
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0072	0.209	0.1973
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0906	0.2277
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0034	0.0906	0.0906
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0072	0.209	0.7134
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0429	0.0287
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0038	0.1032	0.2657
Schistosoma mansoni	nuclear hormone receptor	0.0034	0.0906	0.0906
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0097	0.2871	0.2871
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0097	0.2871	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0072	0.209	0.2554
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1032	0.2657
Brugia malayi	Nuclear hormone receptor-like 1	0.0038	0.1032	0.3253
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0906	0.2277
Schistosoma mansoni	hypothetical protein	0.0254	0.7758	0.7758
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0072	0.209	0.1973
Brugia malayi	nuclear receptor RXR	0.0034	0.0906	0.2787
Schistosoma mansoni	nuclear receptor	0.0034	0.0906	0.0906
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0429	0.0847
Schistosoma mansoni	thyroid hormone receptor	0.0326	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0034	0.0906	0.0771
Brugia malayi	hypothetical protein	0.0038	0.1032	0.3253
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0072	0.209	0.5827
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1032	0.2657
Echinococcus granulosus	bloom syndrome protein	0.0023	0.057	0.0557
Schistosoma mansoni	blooms syndrome DNA helicase	0.0018	0.0418	0.0418
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0072	0.209	0.2554
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0072	0.209	0.7134
Brugia malayi	conserved hypotetical protein	0.0034	0.0906	0.2787
Echinococcus multilocularis	FTZ F1 alpha	0.0072	0.209	0.1973
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0429	1
Echinococcus multilocularis	bloom syndrome protein	0.0023	0.057	0.043
Entamoeba histolytica	recQ family helicase, putative	0.0012	0.0234	0.5452
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0072	0.209	0.5827
Loa Loa (eye worm)	nuclear hormone receptor	0.0034	0.0906	0.2277
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0906	0.2277
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0097	0.2871	0.3579
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0072	0.209	0.7134
Brugia malayi	hypothetical protein	0.0038	0.1032	0.3253
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0034	0.0906	0.0771
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0429	0.5801
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0254	0.7758	1
Toxoplasma gondii	exonuclease III APE	0.0019	0.0429	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0072	0.209	1
Echinococcus granulosus	FTZ F1 alpha	0.0072	0.209	0.2554
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0097	0.2871	0.2765
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0072	0.209	0.7134
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0072	0.209	0.2554
Schistosoma mansoni	nuclear receptor nhr-48	0.0034	0.0906	0.0906
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0429	0.5801
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0072	0.209	0.209
Brugia malayi	nuclear receptor RXR	0.0038	0.1032	0.3253
Brugia malayi	steroid hormone receptor	0.0072	0.209	0.7134
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0906	0.2277
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0072	0.209	0.1973
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0906	0.2277
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0072	0.209	0.7134
Echinococcus multilocularis	nuclear receptor nhr 48	0.0034	0.0906	0.0771
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0072	0.209	0.7134
Brugia malayi	nuclear hormone receptor	0.0072	0.209	0.7134
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0015	0.033	0.7706
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0429	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0072	0.209	0.209
Brugia malayi	Bloom's syndrome protein homolog	0.0023	0.057	0.1556
Brugia malayi	nuclear receptor NHR-88	0.0034	0.0906	0.2787

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

ChEMBL: CHEMBL1796477

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 1018584