TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 306.315 | Formula: C18H14N2O3
H donors: 2 H acceptors: 3 LogP: 2.86 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Oc1ccc(cc1)Oc1ccc(cc1)NC(=O)c1ccncc1
InChi: 1S/C18H14N2O3/c21-15-3-7-17(8-4-15)23-16-5-1-14(2-6-16)20-18(22)13-9-11-19-12-10-13/h1-12,21H,(H,20,22)
InChiKey: JWCJBRDRXFYEME-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
Mus musculus	androgen receptor	Starlite/ChEMBL	References

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
Giardia lamblia	Kinase, TTK	0.0142	0.4931	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.1421	0.1421
Trichomonas vaginalis	CAMK family protein kinase	0.0142	0.4931	0.5
Loa Loa (eye worm)	hypothetical protein	0.0283	1	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0009	0.0155	0.0155
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0009	0.0155	0.0155
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0009	0.0155	0.0155
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0009	0.0155	0.0315
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0009	0.0155	0.0155
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0009	0.0155	0.0315
Echinococcus multilocularis	FTZ F1 alpha	0.0009	0.0155	0.0155
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.1421	0.2881
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.108	0.108
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0155	0.0155
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0009	0.0155	0.0155
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0009	0.0155	0.0315
Echinococcus granulosus	FTZ F1 alpha	0.0009	0.0155	0.0155
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0009	0.0155	0.0315
Entamoeba histolytica	hypothetical protein	0.0035	0.108	0.5
Brugia malayi	nuclear receptor NHR-88	0.0009	0.0155	0.0155
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.1421	0.1421
Schistosoma mansoni	hypothetical protein	0.0035	0.108	0.2191
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0009	0.0155	0.0155
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.1421	0.1421
Echinococcus granulosus	dual specificity serine:threonine tyrosine	0.0142	0.4931	0.4931
Schistosoma mansoni	coup transcription factor	0.0009	0.0155	0.0315
Echinococcus multilocularis	ecdysone induced protein 78C	0.0009	0.0155	0.0155
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0009	0.0155	0.0155
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0155	0.0155
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0009	0.0155	0.0155
Schistosoma mansoni	dual specificity serine/threonine tyrosine kinase	0.0142	0.4931	1
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0155	0.0155
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0009	0.0155	0.0155
Loa Loa (eye worm)	steroid hormone receptor	0.0009	0.0155	0.0155
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0009	0.0155	0.0155
Echinococcus multilocularis	muscleblind protein	0.0283	1	1
Entamoeba histolytica	hypothetical protein	0.0035	0.108	0.5
Entamoeba histolytica	hypothetical protein	0.0035	0.108	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0009	0.0155	0.0155
Loa Loa (eye worm)	TTK protein kinase	0.0142	0.4931	0.4931
Brugia malayi	nuclear hormone receptor	0.0009	0.0155	0.0155
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0009	0.0155	0.0155
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0009	0.0155	0.0155
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0009	0.0155	0.0155
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0155	0.0155
Onchocerca volvulus	Dual specificity protein kinase TTK homolog	0.0142	0.4931	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0009	0.0155	0.0315
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.1421	0.1421
Loa Loa (eye worm)	hypothetical protein	0.0283	1	1
Schistosoma mansoni	thyroid hormone receptor	0.0009	0.0155	0.0315
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.1421	0.1421
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0009	0.0155	0.0155
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0009	0.0155	0.0155
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0009	0.0155	0.0155
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.108	0.108
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.108	0.2191
Schistosoma mansoni	RAR-like nuclear receptor	0.0009	0.0155	0.0315
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0009	0.0155	0.0155
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0009	0.0155	0.0315
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0009	0.0155	0.0155
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0155	0.0155
Brugia malayi	ecdysteroid receptor	0.0009	0.0155	0.0155
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0009	0.0155	0.0155
Schistosoma mansoni	nuclear hormone receptor	0.0009	0.0155	0.0315
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0009	0.0155	0.0155
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.1421	0.1421
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0009	0.0155	0.0155
Entamoeba histolytica	hypothetical protein	0.0035	0.108	0.5
Echinococcus granulosus	ecdysone induced protein 78C	0.0009	0.0155	0.0155
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0009	0.0155	0.0155
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0009	0.0155	0.0155
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0155	0.0155
Brugia malayi	steroid hormone receptor	0.0009	0.0155	0.0155
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0009	0.0155	0.0155
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0009	0.0155	0.0155
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0009	0.0155	0.0315
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0155	0.0155
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0009	0.0155	0.0155
Brugia malayi	Protein kinase domain containing protein	0.0142	0.4931	0.4931
Brugia malayi	photoreceptor-specific nuclear receptor	0.0009	0.0155	0.0155
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0009	0.0155	0.0155
Trichomonas vaginalis	CAMK family protein kinase	0.0142	0.4931	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0009	0.0155	0.0155
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0009	0.0155	0.0155
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.1421	0.2881
Echinococcus multilocularis	muscleblind protein 1	0.0283	1	1
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0155	0.0155
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0009	0.0155	0.0155
Brugia malayi	Steroid receptor seven-up type 2	0.0009	0.0155	0.0155
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0009	0.0155	0.0155
Echinococcus granulosus	muscleblind protein	0.0283	1	1
Schistosoma mansoni	thyroid hormone receptor	0.0009	0.0155	0.0315
Brugia malayi	hypothetical protein	0.0035	0.108	0.108
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0009	0.0155	0.0315
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0009	0.0155	0.0155
Echinococcus multilocularis	dual specificity serine:threonine tyrosine	0.0142	0.4931	0.4931
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.1421	0.2881
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0009	0.0155	0.0155
Brugia malayi	Nuclear hormone receptor-like 1	0.0009	0.0155	0.0155

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 10 uM	Antagonist activity at androgen receptor in mouse SC3 cells assessed as inhibition of DHT-induced cell growth after 3 days by CCK-8/WST-8 assay	ChEMBL.	24900588

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: CHEMBL2441095

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 1789747