TDR Targets

Basic information

Technical information

TDR Targets ID: 1450853
Name: N-[1-(6-bicyclo[2.2.1]heptanyl)ethyl]-2-bromo benzamide
MW: 322.24 | Formula: C16H20BrNO
H donors: 1 H acceptors: 1 LogP: 4.62 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CC(C1CC2CC1CC2)NC(=O)c1ccccc1Br
InChi: 1S/C16H20BrNO/c1-10(14-9-11-6-7-12(14)8-11)18-16(19)13-4-2-3-5-15(13)17/h2-5,10-12,14H,6-9H2,1H3,(H,18,19)
InChiKey: IGMNBLIBHADVHT-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

2-bromo-N-(1-norbornan-2-ylethyl)benzamide
2-bromo-N-[1-(2-norbornanyl)ethyl]benzamide
2-bromo-N-[1-(2-norbornyl)ethyl]benzamide
N-[1-(6-bicyclo[2.2.1]heptanyl)ethyl]-2-bromo-benzamide
MLS001180672
N-(1-bicyclo[2.2.1]hept-2-ylethyl)-2-bromobenzamide
SMR000475972
AE-848/11735289
Oprea1_024057
IVK/8175396

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Human immunodeficiency virus 1	Aberrant vpr protein	Starlite/ChEMBL	No 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
Brugia malayi	Bromodomain containing protein	0.0079	0.3698	0.7884
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0274	0.0448
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0274	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0093	0.4617	0.4617
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0024	0.0198	0.0198
Echinococcus granulosus	fetal alzheimer antigen falz	0.0024	0.0198	0.0198
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0093	0.4617	0.4617
Echinococcus multilocularis	geminin	0.0178	1	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0038	0.1091	0.1091
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0274	0.5
Loa Loa (eye worm)	hypothetical protein	0.0074	0.3413	0.7351
Loa Loa (eye worm)	hypothetical protein	0.0045	0.1539	0.3231
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0093	0.4617	0.4617
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0274	0.5
Loa Loa (eye worm)	hypothetical protein	0.004	0.1254	0.2603
Brugia malayi	PHD-finger family protein	0.0026	0.0356	0.0188
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0063	0.2677	0.2677
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0274	0.5
Brugia malayi	Bromodomain containing protein	0.004	0.1249	0.2245
Leishmania major	hypothetical protein, conserved	0.0025	0.0274	0.5
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0093	0.4617	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.4617	0.4617
Schistosoma mansoni	bromodomain containing protein	0.0067	0.2916	0.2916
Schistosoma mansoni	hypothetical protein	0.0022	0.0071	0.0071
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0093	0.4617	1
Schistosoma mansoni	hypothetical protein	0.0178	1	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1412	0.295
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.4617	0.4617
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0274	0.5
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0274	0.5
Schistosoma mansoni	hypothetical protein	0.0178	1	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0038	0.1091	0.1091
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0274	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.4617	0.4617
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0093	0.4617	0.4617
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0063	0.2677	0.2677
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0024	0.0198	0.0198

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	14.1254 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory)	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: CHEMBL1590377

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 1450853