TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 403.302 | Formula: C21H20Cl2N2O2
H donors: 0 H acceptors: 1 LogP: 4.51 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc2c(c1)oc(=O)cc2CN1CCN(CC1)c1ccc(c(c1)Cl)Cl
InChi: 1S/C21H20Cl2N2O2/c1-14-2-4-17-15(11-21(26)27-20(17)10-14)13-24-6-8-25(9-7-24)16-3-5-18(22)19(23)12-16/h2-5,10-12H,6-9,13H2,1H3
InChiKey: FARZXMULTDWOAB-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	TAR DNA binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461

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	calcium-independent alpha-latrotoxin receptor 2, putative	0.0033	0.0887	0.0887
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.141	0.141
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2916	1
Echinococcus multilocularis	GPCR, family 2	0.0033	0.0887	0.0572
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0335	0.0335
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0021	0.0335	0.0335
Echinococcus granulosus	survival motor neuron protein 1	0.0228	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.141	0.1112
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0335	0.0335
Brugia malayi	steroid hormone receptor	0.0021	0.0335	0.0335
Schistosoma mansoni	lamin	0.0026	0.0564	0.0888
Entamoeba histolytica	hypothetical protein	0.0035	0.097	0.5
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0033	0.0887	0.0572
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0335	0.0335
Brugia malayi	ecdysteroid receptor	0.0021	0.0335	0.0335
Onchocerca volvulus		0.0026	0.0564	0.1931
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0021	0.0335	0.0335
Echinococcus granulosus	lamin dm0	0.0026	0.0564	0.0237
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0335	0.0335
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.2916	0.2916
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.141	0.4164
Entamoeba histolytica	hypothetical protein	0.0035	0.097	0.5
Loa Loa (eye worm)	steroid hormone receptor	0.0021	0.0335	0.0335
Brugia malayi	Steroid receptor seven-up type 2	0.0021	0.0335	0.0335
Schistosoma mansoni	hypothetical protein	0.0033	0.0887	0.2141
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0564	0.0888
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0564	0.0564
Schistosoma mansoni	hypothetical protein	0.0033	0.0887	0.2141
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.141	0.1112
Brugia malayi	nuclear hormone receptor	0.0021	0.0335	0.0335
Loa Loa (eye worm)	hypothetical protein	0.0104	0.421	0.421
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0021	0.0335	0.0335
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.141	0.1112
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0021	0.0335	0.0335
Loa Loa (eye worm)	RNA binding protein	0.0076	0.2916	0.2916
Brugia malayi	STAT protein, DNA binding domain containing protein	0.0152	0.6458	0.6458
Schistosoma mansoni	hypothetical protein	0.0035	0.097	0.246
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0021	0.0335	0.0335
Entamoeba histolytica	hypothetical protein	0.0035	0.097	0.5
Schistosoma mansoni	hypothetical protein	0.0047	0.1522	0.4599
Echinococcus multilocularis	musashi	0.0026	0.0564	0.0237
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0335	0.0335
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0335	0.0335
Onchocerca volvulus		0.0026	0.0564	0.1931
Entamoeba histolytica	hypothetical protein	0.0035	0.097	0.5
Schistosoma mansoni	lamin	0.0026	0.0564	0.0888
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0021	0.0335	0.0335
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0335	0.0335
Echinococcus granulosus	lamin	0.0026	0.0564	0.0237
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0021	0.0335	0.0335
Brugia malayi	intermediate filament protein	0.0026	0.0564	0.0564
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0564	0.0564
Echinococcus multilocularis	survival motor neuron protein 1	0.0228	1	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0104	0.421	0.421
Echinococcus multilocularis	lamin dm0	0.0026	0.0564	0.0237
Brugia malayi	nuclear receptor NHR-88	0.0021	0.0335	0.0335
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0021	0.0335	0.0335
Echinococcus granulosus	intermediate filament protein	0.0026	0.0564	0.0237
Schistosoma mansoni	hypothetical protein	0.0033	0.0887	0.2141
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.141	0.141
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0033	0.0887	0.0572
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2916	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2916	1
Brugia malayi	hypothetical protein	0.0035	0.097	0.097
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0021	0.0335	0.0335
Echinococcus granulosus	tar DNA binding protein	0.0076	0.2916	0.267
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0335	0.0335
Schistosoma mansoni	survival motor neuron protein	0.0047	0.1522	0.4599
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.097	0.0657
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0542	0.0542
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0021	0.0335	0.0335
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0021	0.0335	0.0335
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0033	0.0887	0.0572
Schistosoma mansoni	hypothetical protein	0.0033	0.0887	0.2141
Schistosoma mansoni	hypothetical protein	0.0071	0.2672	0.9056
Onchocerca volvulus		0.0047	0.1522	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0021	0.0335	0.0335
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0021	0.0335	0.0335
Brugia malayi	RNA binding protein	0.0076	0.2916	0.2916
Loa Loa (eye worm)	STAT protein	0.0152	0.6458	0.6458
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.141	0.1112
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.141	0.4164
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.097	0.0657
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.2916	0.2916
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0021	0.0335	0.0335
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.141	0.4164
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0021	0.0335	0.0335
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2916	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2916	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0021	0.0335	0.0335
Brugia malayi	Nuclear hormone receptor-like 1	0.0021	0.0335	0.0335
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.097	0.246
Echinococcus multilocularis	lamin	0.0026	0.0564	0.0237
Brugia malayi	photoreceptor-specific nuclear receptor	0.0021	0.0335	0.0335
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0021	0.0335	0.0335
Echinococcus granulosus	GPCR family 2	0.0033	0.0887	0.0572
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0887	0.0887
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0033	0.0887	0.0572
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0021	0.0335	0.0335
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0021	0.0335	0.0335
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0564	0.0564
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0104	0.421	0.421
Brugia malayi	TAR-binding protein	0.0076	0.2916	0.2916
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0033	0.0887	0.0887
Loa Loa (eye worm)	hypothetical protein	0.0228	1	1
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.1522	0.1522
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.2916	0.2916
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.2916	0.267
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0021	0.0335	0.0335
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0104	0.421	0.421
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0564	0.0564
Loa Loa (eye worm)	hypothetical protein	0.0071	0.2672	0.2672
Brugia malayi	Latrophilin receptor protein 2	0.0033	0.0887	0.0887
Brugia malayi	latrophilin 2 splice variant baaae	0.0071	0.2672	0.2672

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.3162 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	25.0016 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	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: CHEMBL1866714

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 1064884