TDR Targets

Basic information

Technical information

TDR Targets ID: 820258
Name: 2-[(2-bromobenzoyl)amino]-3-methylbutanoic ac id
MW: 300.148 | Formula: C12H14BrNO3
H donors: 2 H acceptors: 3 LogP: 2.85 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CC(C(C(=O)O)NC(=O)c1ccccc1Br)C
InChi: 1S/C12H14BrNO3/c1-7(2)10(12(16)17)14-11(15)8-5-3-4-6-9(8)13/h3-7,10H,1-2H3,(H,14,15)(H,16,17)
InChiKey: NUBVVMYRSWGRBI-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

2-[(2-bromobenzoyl)amino]-3-methyl-butanoic acid
2-[[(2-bromophenyl)-oxomethyl]amino]-3-methylbutanoic acid
2-[(2-bromobenzoyl)amino]-3-methyl-butyric acid
2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoic acid
5237-27-4
CBMicro_015006
BIM-0014835.P001
ST025273
Oprea1_458575

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	hypothetical protein	0.0069	0.0056	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0813	0.0749	0.078
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0813	0.0749	0.1663
Loa Loa (eye worm)	hypothetical protein	0.0508	0.0465	0.0484
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0056	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0384	0.0349	0.0363
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0813	0.0749	0.078
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0813	0.0749	0.1663
Schistosoma mansoni	integrin beta subunit	0.0253	0.0227	0.0475
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0813	0.0749	0.078
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0384	0.0349	0.0791
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.4316	0.4009	1
Brugia malayi	hypothetical protein	0.043	0.0392	0.0408
Brugia malayi	nuclear hormone receptor	0.0813	0.0749	0.078
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0813	0.0749	0.078
Brugia malayi	photoreceptor-specific nuclear receptor	0.0813	0.0749	0.078
Loa Loa (eye worm)	hypothetical protein	0.043	0.0392	0.0408
Loa Loa (eye worm)	hypothetical protein	0.0384	0.0349	0.0363
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0384	0.0349	0.0331
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0042	0.0031	0.5
Echinococcus multilocularis	integrin beta 2	0.0322	0.0291	0.0726
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.006	0.0048	0.0068
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0813	0.0749	0.1698
Loa Loa (eye worm)	hypothetical protein	0.0813	0.0749	0.078
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0813	0.0749	0.1663
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0813	0.0749	0.1867
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0384	0.0349	0.0753
Loa Loa (eye worm)	kelch domain-containing protein family protein	0.0069	0.0056	0.0058
Brugia malayi	Steroid receptor seven-up type 2	0.0813	0.0749	0.078
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0813	0.0749	0.1698
Schistosoma mansoni	retinoic acid receptor RXR	0.4745	0.4409	1
Loa Loa (eye worm)	hypothetical protein	0.0384	0.0349	0.0363
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.043	0.0392	0.0888
Brugia malayi	hypothetical protein	0.0384	0.0349	0.0363
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0813	0.0749	0.078
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.043	0.0392	0.0408
Loa Loa (eye worm)	steroid hormone receptor	0.0813	0.0749	0.078
Loa Loa (eye worm)	hypothetical protein	0.043	0.0392	0.0408
Echinococcus granulosus	FTZ F1 alpha	0.0813	0.0749	0.1698
Schistosoma mansoni	nuclear receptor nhr-48	0.0384	0.0349	0.0753
Brugia malayi	orphan nuclear receptor NR2E1	0.0384	0.0349	0.0363
Loa Loa (eye worm)	hypothetical protein	0.0384	0.0349	0.0363
Brugia malayi	nuclear hormone receptor family member odr-7	0.0384	0.0349	0.0363
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0813	0.0749	0.078
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0042	0.0031	0.0071
Schistosoma mansoni	cpg binding protein	0.003	0.002	0.0003
Echinococcus multilocularis	cpg binding protein	0.003	0.002	0.0049
Plasmodium falciparum	histone acetyltransferase GCN5	0.0039	0.0028	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0813	0.0749	0.078
Loa Loa (eye worm)	hypothetical protein	0.0813	0.0749	0.078
Echinococcus multilocularis	nuclear receptor nhr 48	0.0384	0.0349	0.087
Echinococcus multilocularis	dnaJ subfamily B	0.0406	0.037	0.0922
Giardia lamblia	Histone acetyltransferase GCN5	0.0039	0.0028	0.5
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0108	0.0112
Brugia malayi	ecdysteroid receptor	0.0813	0.0749	0.078
Echinococcus granulosus	cpg binding protein	0.003	0.002	0.0045
Loa Loa (eye worm)	hypothetical protein	0.9939	0.9243	0.9628
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0025	0.0057
Brugia malayi	nuclear receptor NHR-88	0.0384	0.0349	0.0363
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0813	0.0749	0.1867
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.043	0.0392	0.085
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0813	0.0749	0.078
Schistosoma mansoni	cpg binding protein	0.003	0.002	0.0003
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0384	0.0349	0.087
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0813	0.0749	0.1698
Loa Loa (eye worm)	hypothetical protein	0.0384	0.0349	0.0363
Schistosoma mansoni	hypothetical protein	0.0036	0.0025	0.0015
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0813	0.0749	0.078
Loa Loa (eye worm)	hypothetical protein	0.0384	0.0349	0.0363
Loa Loa (eye worm)	hypothetical protein	0.0384	0.0349	0.0363
Entamoeba histolytica	acetyltransferase, GNAT family	0.0039	0.0028	1
Loa Loa (eye worm)	DR-78	0.0384	0.0349	0.0363
Brugia malayi	conserved hypotetical protein	0.0384	0.0349	0.0363
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0384	0.0349	0.0363
Brugia malayi	nuclear receptor RXR	0.0384	0.0349	0.0363
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0813	0.0749	0.1867
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0813	0.0749	0.1867
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0813	0.0749	0.1867
Loa Loa (eye worm)	hypothetical protein	0.0384	0.0349	0.0363
Brugia malayi	tailless protein	0.0384	0.0349	0.0363
Schistosoma mansoni	RAR-like nuclear receptor	0.0813	0.0749	0.1663
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.0018	0.0019
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0813	0.0749	0.1698
Brugia malayi	Kelch motif family protein	0.0069	0.0056	0.0058
Brugia malayi	ecdysone receptor	0.0384	0.0349	0.0363
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0813	0.0749	0.078
Brugia malayi	nuclear receptor NHR-88	0.0813	0.0749	0.078
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0384	0.0349	0.087
Brugia malayi	hypothetical protein	0.0384	0.0349	0.0363
Brugia malayi	Nuclear hormone receptor E75	0.0384	0.0349	0.0363
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0384	0.0349	0.0791
Loa Loa (eye worm)	hypothetical protein	0.0384	0.0349	0.0363
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0384	0.0349	0.087
Brugia malayi	nuclear hormone receptor	1.0322	0.96	1
Schistosoma mansoni	nuclear receptor	0.0384	0.0349	0.0753
Echinococcus multilocularis	ecdysone induced protein 78C	0.0813	0.0749	0.1867
Schistosoma mansoni	thyroid hormone receptor	0.0813	0.0749	0.1663
Onchocerca volvulus		0.0813	0.0749	0.0732
Loa Loa (eye worm)	hypothetical protein	0.0813	0.0749	0.078
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0813	0.0749	0.1867
Loa Loa (eye worm)	nuclear receptor nhr-7B	1.0322	0.96	1
Loa Loa (eye worm)	hypothetical protein	0.0813	0.0749	0.078
Echinococcus granulosus	integrin beta 2	0.0322	0.0291	0.066
Loa Loa (eye worm)	hypothetical protein	0.043	0.0392	0.0408
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0813	0.0749	0.078
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0058	0.0045	1
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0384	0.0349	0.0363
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0813	0.0749	0.1867
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0813	0.0749	0.078
Echinococcus granulosus	nuclear receptor nhr 48	0.0384	0.0349	0.0791
Loa Loa (eye worm)	hypothetical protein	0.0384	0.0349	0.0363
Brugia malayi	CXXC zinc finger family protein	0.0029	0.0018	0.0019
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0813	0.0749	0.078
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0384	0.0349	0.0753
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0813	0.0749	0.1663
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0042	0.0031	0.5
Brugia malayi	Nuclear hormone receptor-like 1	0.043	0.0392	0.0408
Loa Loa (eye worm)	hypothetical protein	0.043	0.0392	0.0408
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0042	0.0031	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0813	0.0749	0.1663
Schistosoma mansoni	coup transcription factor	0.0813	0.0749	0.1663
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0813	0.0749	0.078
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0144	0.0126	0.0245
Onchocerca volvulus		0.0384	0.0349	0.0331
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0813	0.0749	0.078
Loa Loa (eye worm)	hypothetical protein	0.043	0.0392	0.0408
Schistosoma mansoni	nuclear hormone receptor	0.0384	0.0349	0.0753
Loa Loa (eye worm)	hypothetical protein	0.0813	0.0749	0.078
Loa Loa (eye worm)	hypothetical protein	0.0384	0.0349	0.0363
Brugia malayi	Nuclear hormone receptor E75	0.0384	0.0349	0.0363
Schistosoma mansoni	nuclear hormone receptor	0.0813	0.0749	0.1663
Echinococcus granulosus	histone acetyltransferase KAT2B	0.014	0.0122	0.0277
Brugia malayi	Nuclear hormone receptor-like 1	0.0813	0.0749	0.078
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0813	0.0749	0.1663
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0813	0.0749	0.078
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0813	0.0749	0.1663
Onchocerca volvulus	Protein ultraspiracle homolog	0.0813	0.0749	0.0732
Brugia malayi	Nuclear hormone receptor-like 1	0.043	0.0392	0.0408
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0508	0.0465	0.0484
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0384	0.0349	0.0331
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0813	0.0749	0.078
Onchocerca volvulus	Bile acid receptor homolog	0.0813	0.0749	0.0732
Schistosoma mansoni	hypothetical protein	0.0406	0.037	0.08
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0813	0.0749	0.078
Echinococcus multilocularis	FTZ F1 alpha	0.0813	0.0749	0.1867
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.4745	0.4409	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0813	0.0749	0.078
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0813	0.0749	0.1663
Brugia malayi	nuclear receptor RXR	0.043	0.0392	0.0408
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0813	0.0749	0.1698
Brugia malayi	hypothetical protein	0.043	0.0392	0.0408
Loa Loa (eye worm)	hypothetical protein	0.0813	0.0749	0.078
Schistosoma mansoni	nuclear receptor	0.0384	0.0349	0.0753
Brugia malayi	acetyltransferase, GNAT family protein	0.0144	0.0126	0.0131
Loa Loa (eye worm)	acetyltransferase	0.0144	0.0126	0.0131
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0813	0.0749	0.1698
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0384	0.0349	0.0791
Brugia malayi	nuclear receptor NHR-67	0.0384	0.0349	0.0363
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0025	0.0015
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0384	0.0349	0.087
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0384	0.0349	0.0791
Schistosoma mansoni	zinc finger protein	0.0384	0.0349	0.0753
Onchocerca volvulus		0.0384	0.0349	0.0331
Brugia malayi	Integrin beta pat-3 precursor	0.0439	0.0401	0.0417
Schistosoma mansoni	hypothetical protein	0.0051	0.004	0.0048
Loa Loa (eye worm)	nuclear hormone receptor	0.0384	0.0349	0.0363
Brugia malayi	steroid hormone receptor	0.0813	0.0749	0.078
Brugia malayi	hypothetical protein	0.0036	0.0025	0.0026
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.043	0.0392	0.0977
Echinococcus granulosus	thyroid hormone receptor alpha	0.0384	0.0349	0.0791
Schistosoma mansoni	nuclear hormone receptor	0.0384	0.0349	0.0753
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0813	0.0749	0.078
Loa Loa (eye worm)	integrin beta-2	0.0439	0.0401	0.0417
Echinococcus granulosus	dnaJ subfamily B	0.0406	0.037	0.0839
Echinococcus granulosus	ecdysone induced protein 78C	0.0813	0.0749	0.1698
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0144	0.0126	0.0314
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.043	0.0392	0.085
Loa Loa (eye worm)	hypothetical protein	0.0384	0.0349	0.0363
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0813	0.0749	0.078
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0025	0.0062
Loa Loa (eye worm)	hypothetical protein	0.0813	0.0749	0.078

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

Search by Saint Jude

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 820258