TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 469.071 | Formula: C16H10BrIN2O2
H donors: 1 H acceptors: 2 LogP: 4.95 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Brc1ccc(cc1)c1nc(c(o1)O)C=Nc1ccccc1I
InChi: 1S/C16H10BrIN2O2/c17-11-7-5-10(6-8-11)15-20-14(16(21)22-15)9-19-13-4-2-1-3-12(13)18/h1-9,21H
InChiKey: UXLZMSPREDYRNK-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
Loa Loa (eye worm)	hypothetical protein	0.0071	0.2634	0.3014
Leishmania major	cathepsin L-like protease	0.0017	0.024	0.0298
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1304	0.149
Plasmodium vivax	SET domain protein, putative	0.003	0.0822	1
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0791	0.9468
Echinococcus multilocularis	zinc finger protein	0.002	0.0366	0.0981
Trypanosoma cruzi	cysteine peptidase, putative	0.0064	0.2326	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.2326	1
Brugia malayi	MH2 domain containing protein	0.0119	0.4791	0.5488
Loa Loa (eye worm)	jmjC domain-containing protein	0.0037	0.1147	0.131
Schistosoma mansoni	zinc finger protein	0.002	0.0366	0.0706
Echinococcus granulosus	jumonji domain containing protein	0.004	0.1297	0.3476
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0208	0.8725	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0036	0.1091	0.2924
Schistosoma mansoni	jumonji domain containing protein	0.0076	0.2861	1
Leishmania major	cathepsin L-like protease	0.0017	0.024	0.0298
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.2326	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0017	0.024	0.0239
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0029	0.0791	0.2288
Onchocerca volvulus	Alhambra homolog	0.0029	0.0791	0.0564
Loa Loa (eye worm)	MH2 domain-containing protein	0.0119	0.4791	0.5488
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0791	0.0901
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0058	0.2081	0.8859
Echinococcus granulosus	peregrin	0.0031	0.0896	0.24
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.2326	1
Leishmania major	cathepsin L-like protease	0.0064	0.2326	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1389	0.1587
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0017	0.024	0.0644
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0037	0.1147	0.3616
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1199	0.1369
Brugia malayi	Cathepsin L-like precursor	0.0017	0.024	0.027
Leishmania major	cathepsin L-like protease	0.0064	0.2326	1
Loa Loa (eye worm)	bromodomain containing protein	0.0018	0.0281	0.0317
Loa Loa (eye worm)	transcription factor SMAD2	0.0119	0.4791	0.5488
Echinococcus granulosus	histone lysine methyltransferase setb	0.0047	0.1578	0.4228
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.0822	0.2202
Brugia malayi	Cathepsin L-like precursor	0.0017	0.024	0.027
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0047	0.1578	0.5219
Onchocerca volvulus		0.003	0.0822	0.0595
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0017	0.024	0.0644
Brugia malayi	PHD-finger family protein	0.0025	0.0603	0.0685
Plasmodium vivax	hypothetical protein, conserved	0.0029	0.0791	0.9468
Schistosoma mansoni	hypothetical protein	0.0021	0.0413	0.0881
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0095	0.3731	1
Loa Loa (eye worm)	hypothetical protein	0.0151	0.6197	0.7101
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0047	0.1578	0.5219
Loa Loa (eye worm)	jmjC domain-containing protein	0.006	0.2167	0.2479
Brugia malayi	Cathepsin L-like precursor	0.0017	0.024	0.027
Echinococcus granulosus	PHD finger protein rhinoceros	0.0029	0.0791	0.2119
Brugia malayi	Papain family cysteine protease containing protein	0.0017	0.024	0.027
Loa Loa (eye worm)	hypothetical protein	0.005	0.1714	0.196
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0036	0.1091	0.2924
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0037	0.1147	0.3616
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0022	0.0498	0.1196
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0017	0.024	0.0644
Brugia malayi	PHD-finger family protein	0.0029	0.0791	0.0901
Trypanosoma cruzi	cysteine peptidase, putative	0.0017	0.024	0.0298
Echinococcus multilocularis	cysteine protease	0.0017	0.024	0.0644
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0017	0.0254	0.029
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0022	0.0498	0.1333
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0822	0.2403
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0017	0.0254	0.029
Echinococcus multilocularis	cathepsin L cysteine protease	0.0017	0.024	0.0644
Echinococcus granulosus	zinc finger protein	0.002	0.0366	0.0981
Loa Loa (eye worm)	ctsf protein	0.0017	0.024	0.027
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.2326	1
Leishmania major	cathepsin L-like protease	0.0064	0.2326	1
Brugia malayi	jmjC domain containing protein	0.0095	0.3731	0.4273
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0017	0.0254	0.0681
Schistosoma mansoni	hypothetical protein	0.0029	0.0791	0.2288
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.2326	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.2326	1
Brugia malayi	Bromodomain containing protein	0.0038	0.1196	0.1366
Brugia malayi	jmjC domain containing protein	0.0037	0.1147	0.131
Brugia malayi	hypothetical protein	0.0151	0.6197	0.7101
Loa Loa (eye worm)	PHD-finger family protein	0.0029	0.0791	0.0901
Echinococcus granulosus	fetal alzheimer antigen falz	0.0022	0.0498	0.1333
Brugia malayi	Bromodomain containing protein	0.0075	0.2823	0.3232
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.2326	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.1578	0.1803
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.003	0.0822	0.2403
Brugia malayi	Pre-SET motif family protein	0.0208	0.8725	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0017	0.024	0.027
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.003	0.0822	1
Brugia malayi	Cathepsin L-like precursor	0.0017	0.024	0.027
Leishmania major	cathepsin L-like protease	0.0017	0.024	0.0298
Echinococcus granulosus	lysine specific demethylase 5A	0.0037	0.1147	0.3075
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0791	0.9468
Leishmania major	cathepsin L-like protease	0.0017	0.024	0.0298
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.006	0.2145	0.5748
Onchocerca volvulus		0.0151	0.6197	0.6104
Trypanosoma cruzi	cruzipain precursor, putative	0.0064	0.2326	1
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0095	0.3731	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0047	0.1578	0.4228
Brugia malayi	Cathepsin L-like precursor	0.0017	0.024	0.027
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.2326	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.024	0.027
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0017	0.0254	0.0681
Brugia malayi	Cathepsin L-like precursor	0.0017	0.024	0.027
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.2326	1
Brugia malayi	Bromodomain containing protein	0.0031	0.0896	0.1021
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0773	0.2071
Plasmodium falciparum	phd finger protein, putative	0.0029	0.0791	1
Echinococcus multilocularis	lysine specific demethylase 5A	0.0035	0.1063	0.2848
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0017	0.024	0.027
Entamoeba histolytica	cysteine protease, putative	0.0017	0.024	0.5
Echinococcus multilocularis	cathepsin L cysteine protease	0.0017	0.024	0.0644
Echinococcus multilocularis	peregrin	0.0031	0.0896	0.24
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0029	0.0791	0.2119
Brugia malayi	Pre-SET motif family protein	0.003	0.0822	0.0936
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.2326	1
Echinococcus multilocularis	cysteine protease	0.0017	0.024	0.0644
Giardia lamblia	PHD finger protein 15	0.0029	0.0791	0.5
Loa Loa (eye worm)	PHD-finger family protein	0.0021	0.0413	0.0467
Schistosoma mansoni	bromodomain containing protein	0.0063	0.2304	0.7923
Entamoeba histolytica	cysteine proteinase, putative	0.0017	0.024	0.5
Loa Loa (eye worm)	fibroinase	0.0017	0.024	0.027
Schistosoma mansoni	cathepsin F (C01 family)	0.0017	0.024	0.0239
Brugia malayi	F/Y-rich N-terminus family protein	0.0013	0.0054	0.0056
Echinococcus multilocularis	jumonji domain containing protein	0.004	0.1297	0.3476
Leishmania major	cysteine peptidase A (CPA)	0.0017	0.024	0.0298
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.006	0.2145	0.5748
Trypanosoma cruzi	cysteine peptidase, putative	0.0064	0.2326	1
Loa Loa (eye worm)	cysteine protease	0.0017	0.024	0.027
Trichomonas vaginalis	set domain proteins, putative	0.0236	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0017	0.024	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0064	0.2326	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.2326	1
Echinococcus granulosus	cathepsin l1	0.0017	0.024	0.0644
Trypanosoma cruzi	major cysteine proteinase, putative	0.005	0.1721	0.7185
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0017	0.024	0.0644
Leishmania major	cathepsin L-like protease	0.0017	0.024	0.0298

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 658373