TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 465.092 | Formula: C18H11Br2NO4
H donors: 1 H acceptors: 1 LogP: 4.14 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: Brc1cc(Br)cc(c1)C1C2=C(COC2=O)Nc2c1cc1OCOc1c2
InChi: 1S/C18H11Br2NO4/c19-9-1-8(2-10(20)3-9)16-11-4-14-15(25-7-24-14)5-12(11)21-13-6-23-18(22)17(13)16/h1-5,16,21H,6-7H2
InChiKey: UCZHRMPZSPGWMZ-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
Trypanosoma cruzi	cysteine peptidase, putative	0.0069	0.2601	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0383	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0039	0.129	0.129
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0069	0.2601	1
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0085	0.328	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0012	0.0122	0.3182
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0383	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0063	0.234	0.8997
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0383	1
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0056	0.201	0.4744
Schistosoma mansoni	peptidase Clp (S14 family)	0.0085	0.328	0.328
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0383	1
Onchocerca volvulus		0.0018	0.0383	0.0264
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0085	0.328	1
Plasmodium vivax	vivapain-2	0.0018	0.0383	0.1167
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0012	0.0122	0.3182
Onchocerca volvulus		0.0018	0.0383	0.0264
Loa Loa (eye worm)	fibroinase	0.0018	0.0383	0.0264
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0018	0.0383	0.0383
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0085	0.328	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0018	0.0383	0.0383
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0018	0.0383	0.1167
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0085	0.328	0.5
Brugia malayi	Papain family cysteine protease containing protein	0.0018	0.0383	0.0383
Trypanosoma cruzi	cysteine peptidase, putative	0.0018	0.0383	0.1472
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0383	1
Onchocerca volvulus		0.0018	0.0383	0.0264
Loa Loa (eye worm)	transcription factor SMAD2	0.013	0.5222	0.5163
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0018	0.0383	0.0383
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0383	0.0383
Brugia malayi	Cathepsin L-like precursor	0.0012	0.0122	0.0122
Echinococcus granulosus	cathepsin l1	0.0012	0.0122	0.0122
Onchocerca volvulus		0.0018	0.0383	0.0264
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0069	0.2601	1
Loa Loa (eye worm)	ctsf protein	0.0018	0.0383	0.0264
Entamoeba histolytica	hypothetical protein	0.0039	0.129	1
Echinococcus granulosus	peptidase Clp S14 family	0.0056	0.201	0.201
Brugia malayi	cathepsin L-like precursor	0.0012	0.0122	0.0122
Schistosoma mansoni	cathepsin F (C01 family)	0.0018	0.0383	0.0383
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0383	0.0383
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0383	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0383	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0383	1
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0085	0.328	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0069	0.2601	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0383	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0383	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0069	0.2601	1
Toxoplasma gondii	hypothetical protein	0.0029	0.0864	0.1659
Brugia malayi	Cathepsin L-like precursor	0.0012	0.0122	0.0122
Echinococcus multilocularis	cysteine protease	0.0018	0.0383	0.0383
Onchocerca volvulus	Cathepsin F homolog	0.0018	0.0383	0.0264
Schistosoma mansoni	sodium-bile acid cotransporter	0.0143	0.578	0.578
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0018	0.0383	0.0383
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0383	1
Echinococcus granulosus	sodium bile acid cotransporter	0.024	1	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0055	0.1957	0.7525
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0085	0.328	1
Entamoeba histolytica	hypothetical protein	0.0039	0.129	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0085	0.328	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0018	0.0383	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0383	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0039	0.129	0.129
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0085	0.328	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0069	0.2601	1
Entamoeba histolytica	hypothetical protein	0.0039	0.129	1
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0383	0.0383
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0029	0.0864	0.2633
Schistosoma mansoni	transcription factor LCR-F1	0.0039	0.129	0.129
Onchocerca volvulus	Cathepsin L homolog	0.0018	0.0383	0.0264
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0085	0.328	0.328
Leishmania major	cathepsin L-like protease	0.0069	0.2601	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0018	0.0383	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0383	1
Loa Loa (eye worm)	hypothetical protein	0.024	1	1
Leishmania major	cathepsin L-like protease	0.0069	0.2601	1
Plasmodium vivax	vivapain-2	0.0018	0.0383	0.1167
Entamoeba histolytica	cysteine proteinase, putative	0.0012	0.0122	0.0944
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0383	0.0264
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0018	0.0383	0.0264
Echinococcus granulosus	sodium bile acid cotransporter	0.024	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0383	1
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0056	0.201	0.201
Entamoeba histolytica	cysteine proteinase, putative	0.0018	0.0383	0.2968
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0069	0.2601	1
Entamoeba histolytica	hypothetical protein	0.0039	0.129	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0069	0.2601	1
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0085	0.328	0.5
Schistosoma mansoni	cathepsin F (C01 family)	0.0018	0.0383	0.0383
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0383	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0069	0.2601	1
Loa Loa (eye worm)	hypothetical protein	0.0085	0.328	0.3197
Onchocerca volvulus		0.0018	0.0383	0.0264
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0383	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0383	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0383	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0383	1
Brugia malayi	Probable ClpP-like protease	0.0085	0.328	0.328
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0018	0.0383	0.1167
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0056	0.201	0.5
Brugia malayi	hypothetical protein	0.0039	0.129	0.129
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0383	0.0383
Brugia malayi	MH2 domain containing protein	0.013	0.5222	0.5222
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0085	0.328	0.328
Entamoeba histolytica	cysteine proteinase, putative	0.0018	0.0383	0.2968
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0085	0.328	0.5
Echinococcus multilocularis	sodium bile acid cotransporter	0.024	1	1
Echinococcus granulosus	cathepsin l1	0.0018	0.0383	0.0383
Leishmania major	cathepsin L-like protease	0.0069	0.2601	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0069	0.2601	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0069	0.2601	1
Echinococcus multilocularis	cysteine protease	0.0018	0.0383	0.0383
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0085	0.328	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0069	0.2601	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.013	0.5222	0.5163
Schistosoma mansoni	hypothetical protein	0.0039	0.129	0.129
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0383	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0069	0.2601	1
Schistosoma mansoni	sodium-bile acid cotransporter related	0.024	1	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0012	0.0122	0.0122
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0018	0.0383	0.0383
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0018	0.0383	0.1167
Onchocerca volvulus	Cathepsin L homolog	0.0018	0.0383	0.0264
Onchocerca volvulus		0.0018	0.0383	0.0264
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0018	0.0383	0.0264
Echinococcus granulosus	sodium bile acid cotransporter	0.024	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0069	0.2601	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0069	0.2601	1
Onchocerca volvulus		0.0018	0.0383	0.0264
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0383	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0383	1
Echinococcus multilocularis	sodium bile acid cotransporter	0.024	1	1
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0029	0.0864	0.2633
Echinococcus multilocularis	sodium bile acid cotransporter	0.024	1	1
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0383	0.0383
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0056	0.201	0.5
Schistosoma mansoni	cathepsin F (C01 family)	0.0012	0.0122	0.0122
Onchocerca volvulus		0.024	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0383	1
Schistosoma mansoni	sodium-bile acid cotransporter related	0.0097	0.3813	0.3813
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0383	0.0383
Echinococcus multilocularis	cathepsin L cysteine protease	0.0018	0.0383	0.0383
Loa Loa (eye worm)	cysteine protease	0.0018	0.0383	0.0264
Entamoeba histolytica	cysteine protease, putative	0.0018	0.0383	0.2968

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: CHEMBL509678

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 1011298