TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 383.28 | Formula: C17H23BrN2O3
H donors: 1 H acceptors: 2 LogP: 3 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCCCNC(=O)C1(C)CCN1C(=O)c1cc(OC)ccc1Br
InChi: 1S/C17H23BrN2O3/c1-4-5-9-19-16(22)17(2)8-10-20(17)15(21)13-11-12(23-3)6-7-14(13)18/h6-7,11H,4-5,8-10H2,1-3H3,(H,19,22)
InChiKey: XYUHJOGXQXKTHR-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
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0853	0.1998	0.4174
Trichomonas vaginalis	conserved hypothetical protein	0.1797	0.4285	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0049	0.0049
Echinococcus multilocularis	carbonic anhydrase	0.0853	0.1998	0.4174
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.0049	0.0103
Loa Loa (eye worm)	jmjC domain-containing protein	0.0034	0.0014	0.003
Plasmodium vivax	hypothetical protein, conserved	0.0028	0	0.5
Schistosoma mansoni	hypothetical protein	0.0165	0.0331	0.0331
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0049	0.0049
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0853	0.1998	0.4174
Echinococcus multilocularis	jumonji domain containing protein	0.0039	0.0027	0.0056
Mycobacterium leprae	CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)	0.4156	1	0.5
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0034	0.0014	0.0014
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.0049	0.0103
Echinococcus granulosus	carbonic anhydrase	0.0853	0.1998	0.4174
Leishmania major	carbonic anhydrase family protein, putative	0.4156	1	1
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0093	0.0156	0.0327
Loa Loa (eye worm)	carbonic anhydrase 3	0.2004	0.4786	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0049	0.0103
Schistosoma mansoni	carbonic anhydrase	0.4156	1	1
Brugia malayi	jmjC domain containing protein	0.0034	0.0014	0.003
Loa Loa (eye worm)	hypothetical protein	0.0159	0.0317	0.0663
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.2004	0.4786	0.5
Schistosoma mansoni	carbonic anhydrase-related	0.0853	0.1998	0.1998
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0853	0.1998	0.4174
Echinococcus multilocularis	geminin	0.0165	0.0331	0.0691
Plasmodium falciparum	carbonic anhydrase	0.0853	0.1998	1
Echinococcus granulosus	jumonji domain containing protein	0.0039	0.0027	0.0056
Onchocerca volvulus	Alhambra homolog	0.0028	0	0.5
Schistosoma mansoni	hypothetical protein	0.0165	0.0331	0.0331
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0853	0.1998	0.4174
Trypanosoma brucei	carbonic anhydrase-like protein	0.2004	0.4786	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0049	0.0103
Schistosoma mansoni	carbonic anhydrase-related	0.0853	0.1998	0.1998
Echinococcus multilocularis	carbonic anhydrase	0.0853	0.1998	0.4174
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.2004	0.4786	1
Giardia lamblia	PHD finger protein 15	0.0028	0	0.5
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.2004	0.4786	0.5
Mycobacterium tuberculosis	Beta-carbonic anhydrase CanB	0.2359	0.5646	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0059	0.0073	0.0153
Schistosoma mansoni	carbonic anhydrase-related	0.0853	0.1998	0.1998
Echinococcus granulosus	carbonic anhydrase II	0.2004	0.4786	1
Loa Loa (eye worm)	hypothetical protein	0.0853	0.1998	0.4174
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.2004	0.4786	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0049	0.0103
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0093	0.0156	0.0327
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.2004	0.4786	0.4786
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0049	0.0103
Echinococcus granulosus	carbonic anhydrase	0.0853	0.1998	0.4174
Schistosoma mansoni	hypothetical protein	0.0853	0.1998	0.1998
Loa Loa (eye worm)	hypothetical protein	0.0853	0.1998	0.4174
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.2004	0.4786	1
Echinococcus multilocularis	muscleblind protein 1	0.0159	0.0317	0.0663
Echinococcus multilocularis	carbonic anhydrase II	0.2004	0.4786	1
Toxoplasma gondii	hypothetical protein	0.0853	0.1998	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0049	0.0103
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.2004	0.4786	0.4786
Loa Loa (eye worm)	hypothetical protein	0.0159	0.0317	0.0663
Echinococcus granulosus	geminin	0.0165	0.0331	0.0691
Schistosoma mansoni	carbonic anhydrase	0.0853	0.1998	0.1998
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0853	0.1998	0.4174
Schistosoma mansoni	jumonji domain containing protein	0.0074	0.011	0.011
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0049	0.0049
Echinococcus granulosus	muscleblind protein	0.0159	0.0317	0.0663
Brugia malayi	Muscleblind-like protein	0.0159	0.0317	0.0663
Brugia malayi	jmjC domain containing protein	0.0093	0.0156	0.0327
Mycobacterium ulcerans	carbonic anhydrase	0.4156	1	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0034	0.0014	0.0014
Echinococcus multilocularis	lysine specific demethylase 5A	0.0034	0.0014	0.003
Echinococcus granulosus	carbonic anhydrase	0.0853	0.1998	0.4174
Echinococcus granulosus	lysine specific demethylase 5A	0.0034	0.0014	0.003
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0853	0.1998	0.4174
Echinococcus multilocularis	carbonic anhydrase	0.0853	0.1998	0.4174
Trichomonas vaginalis	conserved hypothetical protein	0.1797	0.4285	0.5
Loa Loa (eye worm)	hypothetical protein	0.0853	0.1998	0.4174
Echinococcus multilocularis	muscleblind protein	0.0159	0.0317	0.0663

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

ChEMBL: CHEMBL2361949

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1749862