TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 476.752 | Formula: C24H15BrClN3O
H donors: 0 H acceptors: 2 LogP: 5.68 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(cc1)c1nc2ccccc2c2c1nc(C)n(c2=O)c1ccc(cc1)Br
InChi: 1S/C24H15BrClN3O/c1-14-27-23-21(24(30)29(14)18-12-8-16(25)9-13-18)19-4-2-3-5-20(19)28-22(23)15-6-10-17(26)11-7-15/h2-13H,1H3
InChiKey: AWCOVDCFHZRJTM-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	Nuclear hormone receptor HR96	0.0021	0.0195	0.037
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0229	0.8897	0.8897
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0021	0.0195	0.037
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0045	0.119	0.119
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0045	0.119	0.2257
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0017	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0195	0.0195
Brugia malayi	nuclear receptor NHR-67	0.0021	0.0195	0.0195
Entamoeba histolytica	cysteine proteinase, putative	0.0017	0	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.1948	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0045	0.119	0.119
Brugia malayi	Nuclear hormone receptor-like 1	0.0045	0.119	0.119
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0024	0.0302	0.0705
Onchocerca volvulus	Protein ultraspiracle homolog	0.0045	0.119	0.1882
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0021	0.0195	0.0308
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0045	0.119	0.2257
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0195	0.0195
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0045	0.119	0.119
Brugia malayi	Nuclear hormone receptor E75	0.0021	0.0195	0.0195
Schistosoma mansoni	retinoic acid receptor RXR	0.0143	0.5272	1
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0021	0.0195	0.0456
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.1948	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0045	0.119	0.119
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0045	0.119	0.119
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0045	0.119	0.2782
Trichomonas vaginalis	glucosylceramidase, putative	0.0168	0.6323	0.6323
Loa Loa (eye worm)	hypothetical protein	0.0045	0.119	0.119
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0045	0.119	0.119
Echinococcus granulosus	ecdysone induced protein 78C	0.0045	0.119	0.2257
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0024	0.0302	0.0302
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0045	0.119	0.2782
Brugia malayi	hypothetical protein	0.0024	0.0302	0.0302
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0195	0.0195
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0045	0.119	0.119
Loa Loa (eye worm)	hypothetical protein	0.0045	0.119	0.119
Loa Loa (eye worm)	hypothetical protein	0.0045	0.119	0.119
Brugia malayi	nuclear receptor NHR-88	0.0045	0.119	0.119
Brugia malayi	hypothetical protein	0.0021	0.0195	0.0195
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0195	0.0195
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0302	0.0302
Trypanosoma cruzi	cysteine peptidase, putative	0.0063	0.1948	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.1948	0.5
Brugia malayi	conserved hypotetical protein	0.0021	0.0195	0.0195
Loa Loa (eye worm)	hypothetical protein	0.0045	0.119	0.119
Schistosoma mansoni	zinc finger protein	0.0021	0.0195	0.037
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0195	0.0195
Trypanosoma cruzi	major cysteine proteinase, putative	0.005	0.1383	0.7098
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0045	0.119	0.119
Brugia malayi	nuclear hormone receptor	0.0045	0.119	0.119
Brugia malayi	ecdysteroid receptor	0.0045	0.119	0.119
Brugia malayi	Steroid receptor seven-up type 2	0.0045	0.119	0.119
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0024	0.0302	0.0572
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0021	0.0195	0.037
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0045	0.119	0.2257
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0021	0.0195	0.0456
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.1948	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0045	0.119	0.119
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.1948	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.0256	1	1
Onchocerca volvulus	Glucosylceramidase homolog	0.0168	0.6323	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0063	0.1948	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0021	0.0195	0.037
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0021	0.0195	0.037
Schistosoma mansoni	thyroid hormone receptor	0.0045	0.119	0.2257
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0302	0.0302
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0302	0.0302
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0045	0.119	0.2257
Entamoeba histolytica	cysteine protease, putative	0.0017	0	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0045	0.119	0.119
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0021	0.0195	0.0456
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0045	0.119	0.119
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.1948	0.5
Echinococcus multilocularis	nuclear receptor nhr 48	0.0021	0.0195	0.0456
Brugia malayi	Nuclear hormone receptor-like 1	0.0024	0.0302	0.0302
Brugia malayi	nuclear hormone receptor	0.0021	0.0195	0.0195
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0021	0.0195	0.0195
Entamoeba histolytica	cysteine proteinase, putative	0.0017	0	0.5
Brugia malayi	tailless protein	0.0021	0.0195	0.0195
Plasmodium vivax	vivapain-2	0.0017	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0045	0.119	0.119
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0045	0.119	0.119
Trypanosoma cruzi	cysteine peptidase, putative	0.0063	0.1948	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0256	1	1
Schistosoma mansoni	thyroid hormone receptor	0.0045	0.119	0.2257
Trichomonas vaginalis	glucosylceramidase, putative	0.0168	0.6323	0.6323
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0045	0.119	0.2257
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0058	0.1719	0.8824
Brugia malayi	steroid hormone receptor	0.0045	0.119	0.119
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0045	0.119	0.119
Brugia malayi	nuclear receptor RXR	0.0024	0.0302	0.0302
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0195	0.0195
Brugia malayi	Nuclear hormone receptor-like 1	0.0024	0.0302	0.0302
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.1948	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.0256	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.1948	0.5
Schistosoma mansoni	nuclear hormone receptor	0.0021	0.0195	0.037
Trichomonas vaginalis	glucosylceramidase, putative	0.0168	0.6323	0.6323
Trichomonas vaginalis	glucosylceramidase, putative	0.0177	0.6701	0.6701
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0302	0.0302
Schistosoma mansoni	coup transcription factor	0.0045	0.119	0.2257
Echinococcus multilocularis	ecdysone induced protein 78C	0.0045	0.119	0.2782
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0195	0.0195
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0302	0.0302
Schistosoma mansoni	nuclear hormone receptor	0.0021	0.0195	0.037
Brugia malayi	follicle stimulating hormone receptor	0.0229	0.8897	0.8897
Onchocerca volvulus	Bile acid receptor homolog	0.0045	0.119	0.1882
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0045	0.119	0.2782
Schistosoma mansoni	nuclear receptor nhr-48	0.0021	0.0195	0.037
Schistosoma mansoni	nuclear receptor	0.0021	0.0195	0.037
Trichomonas vaginalis	glucosylceramidase, putative	0.0168	0.6323	0.6323
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.1948	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0045	0.119	0.119
Onchocerca volvulus		0.0021	0.0195	0.0308
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0195	0.0195
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0143	0.5272	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0045	0.119	0.119
Loa Loa (eye worm)	hypothetical protein	0.0045	0.119	0.119
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0045	0.119	0.2257
Onchocerca volvulus		0.0045	0.119	0.1882
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0021	0.0195	0.0195
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0045	0.119	0.2257
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0195	0.0195
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0021	0.0195	0.0308
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0045	0.119	0.2782
Loa Loa (eye worm)	hypothetical protein	0.0045	0.119	0.119
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0195	0.0195
Brugia malayi	hypothetical protein	0.0024	0.0302	0.0302
Loa Loa (eye worm)	DR-78	0.0021	0.0195	0.0195
Toxoplasma gondii	cathepsin CPL	0.0017	0	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.0256	1	1
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0021	0.0195	0.0195
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0045	0.119	0.119
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0256	1	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0045	0.119	0.2257
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0021	0.0195	0.037
Leishmania major	cathepsin L-like protease	0.0063	0.1948	1
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0119	0.4277	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0021	0.0195	0.0456
Onchocerca volvulus		0.0021	0.0195	0.0308
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0045	0.119	0.2782
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0045	0.119	0.119
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0045	0.119	0.2257
Brugia malayi	nuclear receptor RXR	0.0021	0.0195	0.0195
Leishmania major	cathepsin L-like protease	0.0063	0.1948	1
Brugia malayi	ecdysone receptor	0.0021	0.0195	0.0195
Trichomonas vaginalis	glucosylceramidase, putative	0.0168	0.6323	0.6323
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0045	0.119	0.2257
Brugia malayi	photoreceptor-specific nuclear receptor	0.0045	0.119	0.119
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0024	0.0302	0.0572
Schistosoma mansoni	nuclear receptor	0.0021	0.0195	0.037
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0195	0.0195
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0045	0.119	0.2257
Brugia malayi	nuclear hormone receptor family member odr-7	0.0021	0.0195	0.0195
Brugia malayi	hypothetical protein	0.0021	0.0195	0.0195
Trichomonas vaginalis	glucosylceramidase, putative	0.0256	1	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0045	0.119	0.119
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.1948	0.5
Echinococcus multilocularis	FTZ F1 alpha	0.0045	0.119	0.2782
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.1948	0.5
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0021	0.0195	0.0195
Leishmania major	cathepsin L-like protease	0.0063	0.1948	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0256	1	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0045	0.119	0.1882
Trichomonas vaginalis	glucosylceramidase, putative	0.0168	0.6323	0.6323
Echinococcus granulosus	FTZ F1 alpha	0.0045	0.119	0.2257
Plasmodium vivax	vivapain-2	0.0017	0	0.5
Schistosoma mansoni	nuclear hormone receptor	0.0045	0.119	0.2257
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0195	0.0195
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0195	0.0195
Brugia malayi	Nuclear hormone receptor E75	0.0021	0.0195	0.0195
Trichomonas vaginalis	glucosylceramidase, putative	0.0168	0.6323	0.6323
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0017	0	0.5
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0045	0.119	0.2257
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0045	0.119	0.2257
Trichomonas vaginalis	glucosylceramidase, putative	0.0177	0.6701	0.6701
Brugia malayi	orphan nuclear receptor NR2E1	0.0021	0.0195	0.0195
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0045	0.119	0.119
Schistosoma mansoni	RAR-like nuclear receptor	0.0045	0.119	0.2257
Trypanosoma cruzi	cysteine peptidase, putative	0.0063	0.1948	1
Echinococcus granulosus	thyroid hormone receptor alpha	0.0021	0.0195	0.037
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0024	0.0302	0.0572
Loa Loa (eye worm)	nuclear hormone receptor	0.0021	0.0195	0.0195
Brugia malayi	nuclear receptor NHR-88	0.0021	0.0195	0.0195
Echinococcus granulosus	nuclear receptor nhr 48	0.0021	0.0195	0.037
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0045	0.119	0.2782
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0045	0.119	0.119
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0045	0.119	0.2782
Loa Loa (eye worm)	steroid hormone receptor	0.0045	0.119	0.119
Loa Loa (eye worm)	hypothetical protein	0.0045	0.119	0.119
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0017	0	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 2.5 uM	Cytotoxicity against human PC3 cells after 3 days by MTT assay	ChEMBL.	17275318
IC50 (functional)	= 2.5 uM	Cytotoxicity against human PC3 cells after 3 days by MTT assay	ChEMBL.	17275318

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	17275318

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

No external resources registered for this compound

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 423970