TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 267.079 | Formula: C10H7BrN2O2
H donors: 1 H acceptors: 2 LogP: 1.35 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: Brc1cc2CCn3c2c(c1)[nH]c(=O)c3=O
InChi: 1S/C10H7BrN2O2/c11-6-3-5-1-2-13-8(5)7(4-6)12-9(14)10(13)15/h3-4H,1-2H2,(H,12,14)
InChiKey: MPDQWFLMSFOXEZ-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

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Glutamate NMDA receptor	Starlite/ChEMBL	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
Schistosoma mansoni	cercarial elastase (S01 family)	0.0059	0.0653	0.0352
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0046	0.0312	0.0312
Plasmodium falciparum	glutathione reductase	0.0132	0.2525	0.2285
Schistosoma mansoni	cercarial elastase (S01 family)	0.0059	0.0653	0.0352
Brugia malayi	Trypsin family protein	0.0059	0.0653	0.0653
Leishmania major	hypothetical protein, conserved	0.0425	1	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0059	0.0653	0.0352
Schistosoma mansoni	cercarial elastase (S01 family)	0.0059	0.0653	0.0352
Trypanosoma cruzi	hypothetical protein, conserved	0.0425	1	1
Brugia malayi	hypothetical protein	0.0059	0.0653	0.0653
Treponema pallidum	NADH oxidase	0.0046	0.0312	0.5
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0059	0.0653	0.0352
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0132	0.2525	0.2285
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0059	0.0653	0.0352
Schistosoma mansoni	cercarial elastase (S01 family)	0.0059	0.0653	0.0352
Echinococcus granulosus	glycoprotein Antigen 5	0.0059	0.0653	0.0352
Echinococcus multilocularis	Mastin	0.0059	0.0653	0.0352
Echinococcus granulosus	Mastin	0.0059	0.0653	0.0352
Toxoplasma gondii	thioredoxin reductase	0.0132	0.2525	0.2285
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0046	0.0312	0.5
Echinococcus multilocularis	transmembrane protease serine 3	0.0059	0.0653	0.0352
Brugia malayi	Trypsin family protein	0.0059	0.0653	0.0653
Plasmodium vivax	thioredoxin reductase, putative	0.0132	0.2525	0.2285
Schistosoma mansoni	cercarial elastase (S01 family)	0.0059	0.0653	0.0352
Plasmodium falciparum	cysteine repeat modular protein 1	0.0425	1	1
Echinococcus multilocularis	glycoprotein Antigen 5	0.0059	0.0653	0.0352
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0059	0.0653	0.0352
Trichomonas vaginalis	mercuric reductase, putative	0.0046	0.0312	0.5
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0425	1	1
Brugia malayi	glutathione reductase	0.0132	0.2525	0.2525
Plasmodium falciparum	thioredoxin reductase	0.0132	0.2525	0.2285
Echinococcus granulosus	thioredoxin glutathione reductase	0.0132	0.2525	0.2285
Schistosoma mansoni	hypothetical protein	0.0425	1	1
Brugia malayi	Trypsin family protein	0.0059	0.0653	0.0653
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0059	0.0653	0.0352
Toxoplasma gondii	kringle domain-containing protein	0.0425	1	1
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0059	0.0653	0.0352
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0046	0.0312	0.5
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0059	0.0653	0.0352
Plasmodium vivax	glutathione reductase, putative	0.0132	0.2525	0.2285
Schistosoma mansoni	cercarial elastase (S01 family)	0.0059	0.0653	0.0352
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0132	0.2525	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0059	0.0653	0.0352
Brugia malayi	Thioredoxin reductase	0.0132	0.2525	0.2525
Trichomonas vaginalis	glutathione reductase, putative	0.0046	0.0312	0.5
Trypanosoma brucei	trypanothione reductase	0.0132	0.2525	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0059	0.0653	0.0352
Loa Loa (eye worm)	glutathione reductase	0.0132	0.2525	0.2004
Echinococcus granulosus	transmembrane protease serine 3	0.0059	0.0653	0.0352
Brugia malayi	Trypsin family protein	0.0059	0.0653	0.0653
Echinococcus granulosus	tissue type plasminogen activator	0.0425	1	1
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0059	0.0653	0.0352
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0059	0.0653	0.0352
Schistosoma mansoni	cercarial elastase (S01 family)	0.0059	0.0653	0.0352
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0046	0.0312	0.5
Brugia malayi	Trypsin-like protease protein 5	0.0059	0.0653	0.0653
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0059	0.0653	0.0352
Trypanosoma cruzi	trypanothione reductase, putative	0.0132	0.2525	0.2285
Loa Loa (eye worm)	hypothetical protein	0.0425	1	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0059	0.0653	0.0352
Echinococcus granulosus	enteropeptidase	0.0059	0.0653	0.0352
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0046	0.0312	0.5
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0059	0.0653	0.0352
Echinococcus multilocularis	tissue type plasminogen activator	0.0425	1	1
Brugia malayi	Kringle domain containing protein	0.0425	1	1
Loa Loa (eye worm)	TK/ROR protein kinase	0.0425	1	1
Mycobacterium ulcerans	hypothetical protein	0.0059	0.0653	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0059	0.0653	0.0352
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0059	0.0653	0.0352
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0046	0.0312	0.5
Leishmania major	trypanothione reductase	0.0132	0.2525	0.2285
Echinococcus multilocularis	enteropeptidase	0.0059	0.0653	0.0352
Onchocerca volvulus		0.0425	1	1
Loa Loa (eye worm)	thioredoxin reductase	0.0132	0.2525	0.2004
Schistosoma mansoni	hypothetical protein	0.0059	0.0653	0.0352
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0059	0.0653	0.0653
Schistosoma mansoni	hypothetical protein	0.0059	0.0653	0.0352

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	> 3000 nM	Affinity for the glycine binding site of NMDA receptor by inhibition of [3H]-5,7-dichlorokynurenic acid ([3H]-DCKA) binding to rat brain synaptic membrane	ChEMBL.	7966156
Ki (binding)	> 3000 nM	Affinity for the glycine binding site of NMDA receptor by inhibition of [3H]-5,7-dichlorokynurenic acid ([3H]-DCKA) binding to rat brain synaptic membrane	ChEMBL.	7966156

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

PubChem: 11777734

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 222669