TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 339.474 | Formula: C7H3ClIN3O3
H donors: 2 H acceptors: 5 LogP: 1.05 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: Oc1nc2c(nc1O)cc(c([n+]2[O-])Cl)I
InChi: 1S/C7H3ClIN3O3/c8-4-2(9)1-3-5(12(4)15)11-7(14)6(13)10-3/h1H,(H,10,13)(H,11,14)
InChiKey: ZKAHFGURZMBCPR-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Glutamate (NMDA) receptor subunit zeta 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Glutamate [NMDA] receptor subunit zeta-1 precursor, putative	Get druggable targets OG5_133478	All targets in OG5_133478
Echinococcus granulosus	glutamate receptor NMDA	Get druggable targets OG5_133478	All targets in OG5_133478
Schistosoma mansoni	glutamate receptor NMDA	Get druggable targets OG5_133478	All targets in OG5_133478
Echinococcus multilocularis	glutamate receptor NMDA	Get druggable targets OG5_133478	All targets in OG5_133478
Echinococcus multilocularis	nmda type glutamate receptor	Get druggable targets OG5_133478	All targets in OG5_133478
Schistosoma japonicum	Glutamate [NMDA] receptor subunit zeta-1 precursor, putative	Get druggable targets OG5_133478	All targets in OG5_133478
Echinococcus granulosus	nmda type glutamate receptor	Get druggable targets OG5_133478	All targets in OG5_133478
Echinococcus granulosus	nmda type glutamate receptor	Get druggable targets OG5_133478	All targets in OG5_133478
Schistosoma japonicum	expressed protein	Get druggable targets OG5_133478	All targets in OG5_133478
Echinococcus multilocularis	nmda type glutamate receptor	Get druggable targets OG5_133478	All targets in OG5_133478
Schistosoma japonicum	Glutamate [NMDA] receptor subunit zeta-1 precursor, putative	Get druggable targets OG5_133478	All targets in OG5_133478

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Drosophila melanogaster	Glutamate receptor IA	Glutamate (NMDA) receptor subunit zeta 1	938 aa	979 aa	23.7 %
Drosophila melanogaster	NMDA receptor 2	Glutamate (NMDA) receptor subunit zeta 1	938 aa	878 aa	27.4 %
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	Glutamate (NMDA) receptor subunit zeta 1	938 aa	822 aa	23.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0032	0.0049	0.0049
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0032	0.0049	0.0049
Echinococcus multilocularis	g-protein coupled receptor	0.0032	0.0049	0.0049
Trypanosoma brucei	cytochrome P450, putative	0.0046	0.1527	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0032	0.0049	0.0049
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0032	0.0049	0.0049
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0032	0.0049	0.0049
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0032	0.0049	0.0049
Onchocerca volvulus		0.0032	0.0049	0.5
Echinococcus multilocularis	G protein coupled receptor 139	0.0032	0.0049	0.0049
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0032	0.0049	0.0049
Onchocerca volvulus		0.0032	0.0049	0.5
Onchocerca volvulus		0.0032	0.0049	0.5
Loa Loa (eye worm)	cytochrome P450 family protein	0.0046	0.1527	0.5223
Echinococcus multilocularis	dro:myosuppressin receptor	0.0032	0.0049	0.0049
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0032	0.0049	0.0049
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0032	0.0049	0.5
Echinococcus multilocularis	neuropeptides capa receptor	0.0032	0.0049	0.0049
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0032	0.0049	0.0049
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0032	0.0049	0.0049
Trypanosoma cruzi	cytochrome P450, putative	0.0046	0.1527	0.5
Echinococcus multilocularis	neuropeptide receptor	0.0032	0.0049	0.0049
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0032	0.0049	0.0049
Onchocerca volvulus		0.0032	0.0049	0.5
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0032	0.0049	0.0049
Trypanosoma cruzi	cytochrome P450, putative	0.0046	0.1527	0.5
Echinococcus multilocularis	neuropeptide receptor	0.0032	0.0049	0.0049
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0046	0.1527	0.5
Echinococcus multilocularis	orexin receptor type 2	0.0032	0.0049	0.0049
Echinococcus multilocularis	g protein coupled receptor	0.0032	0.0049	0.0049
Echinococcus multilocularis	fmrfamide receptor	0.0032	0.0049	0.0049
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0032	0.0049	0.0049
Onchocerca volvulus		0.0032	0.0049	0.5
Onchocerca volvulus		0.0032	0.0049	0.5
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0032	0.0049	0.0049
Loa Loa (eye worm)	cytochrome P450 family protein	0.0046	0.1527	0.5223
Echinococcus multilocularis	neuropeptides capa receptor	0.0032	0.0049	0.0049
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0032	0.0049	0.0049
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0032	0.0049	0.0049
Onchocerca volvulus		0.0032	0.0049	0.5
Echinococcus multilocularis	neuropeptide Y receptor	0.0032	0.0049	0.0049
Brugia malayi	Cytochrome P450 family protein	0.0046	0.1527	0.5223
Onchocerca volvulus		0.0032	0.0049	0.5
Onchocerca volvulus		0.0032	0.0049	0.5
Loa Loa (eye worm)	cytochrome P450 family protein	0.0059	0.2878	1
Onchocerca volvulus		0.0032	0.0049	0.5
Schistosoma mansoni	glutamate receptor NMDA	0.0109	0.8069	1
Echinococcus multilocularis	fmrfamide receptor	0.0032	0.0049	0.0049
Echinococcus multilocularis	nmda type glutamate receptor	0.0127	1	1
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0032	0.0049	0.0049
Echinococcus multilocularis	allatostatin A receptor	0.0032	0.0049	0.0049
Onchocerca volvulus		0.0032	0.0049	0.5
Echinococcus multilocularis	neuropeptide receptor A26	0.0032	0.0049	0.0049
Brugia malayi	Cytochrome P450 family protein	0.0046	0.1527	0.5223
Loa Loa (eye worm)	CYP4Cod1	0.0046	0.1527	0.5223
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0032	0.0049	0.0049
Onchocerca volvulus		0.0032	0.0049	0.5
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0032	0.0049	0.0049
Onchocerca volvulus		0.0032	0.0049	0.5
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0032	0.0049	0.0049
Echinococcus multilocularis	glutamate receptor NMDA	0.0095	0.6645	0.6645
Echinococcus granulosus	nmda type glutamate receptor	0.01	0.7127	0.7113
Brugia malayi	Cytochrome P450 family protein	0.0059	0.2878	1
Echinococcus multilocularis	nmda type glutamate receptor	0.01	0.7127	0.7127
Echinococcus multilocularis	neuropeptide Y receptor	0.0032	0.0049	0.0049
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0032	0.0049	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0032	0.0049	0.0049
Onchocerca volvulus		0.0032	0.0049	0.5
Echinococcus multilocularis	g protein coupled receptor	0.0032	0.0049	0.0049
Leishmania major	cytochrome p450-like protein	0.0046	0.1527	0.5
Echinococcus multilocularis	serotonin receptor	0.0032	0.0049	0.0049
Onchocerca volvulus		0.0032	0.0049	0.5
Echinococcus multilocularis	serotonin receptor	0.0032	0.0049	0.0049
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0032	0.0049	0.0049
Onchocerca volvulus		0.0032	0.0049	0.5
Echinococcus granulosus	glutamate receptor NMDA	0.0095	0.6645	0.6628
Onchocerca volvulus		0.0032	0.0049	0.5
Echinococcus multilocularis	neuropeptide s receptor	0.0032	0.0049	0.0049
Echinococcus multilocularis	sex peptide receptor	0.0032	0.0049	0.0049
Echinococcus multilocularis	somatostatin receptor	0.0032	0.0049	0.0049
Echinococcus multilocularis	g protein coupled receptor	0.0032	0.0049	0.0049
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0032	0.0049	0.0049
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0032	0.0049	0.0049

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= -6.68	In vitro binding affinity for glycine site on the NMDA receptor.	ChEMBL.	No reference
Log Ki (binding)	= 6.68	In vitro binding affinity for glycine site on the NMDA receptor.	ChEMBL.	No reference

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

No external resources registered for this compound

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 151960