TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 491.387 | Formula: C23H20Cl2N2O4S
H donors: 1 H acceptors: 3 LogP: 5.62 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)C1Nc2cc(Cl)cc(c2S(=O)(=O)N1Cc1cccc(c1)c1ccccc1)Cl
InChi: 1S/C23H20Cl2N2O4S/c1-2-31-23(28)22-26-20-13-18(24)12-19(25)21(20)32(29,30)27(22)14-15-7-6-10-17(11-15)16-8-4-3-5-9-16/h3-13,22,26H,2,14H2,1H3
InChiKey: LCEPTGWZBSNUAP-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	Starlite/ChEMBL	No 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
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsZ	0.0067	0.252	0.5
Echinococcus granulosus	tubulin subunit TubB	0.0154	0.8797	0.8797
Loa Loa (eye worm)	alpha-tubulin	0.0154	0.8797	0.8391
Entamoeba histolytica	tubulin family protein	0.0171	1	1
Echinococcus multilocularis	tubulin subunit beta	0.0171	1	1
Echinococcus multilocularis	tubulin alpha chain	0.0154	0.8797	0.8797
Trypanosoma cruzi	epsilon tubulin, putative	0.0154	0.8797	0.8391
Echinococcus multilocularis	tubulin delta chain	0.0067	0.252	0.252
Schistosoma mansoni	tubulin subunit epsilon	0.0154	0.8797	0.8391
Leishmania major	alpha tubulin	0.0154	0.8797	0.8391
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0154	0.8797	0.8391
Loa Loa (eye worm)	tubulin beta-4 chain	0.0171	1	1
Toxoplasma gondii	alpha tubulin TUBA1	0.0154	0.8797	0.8391
Echinococcus multilocularis	Tubulin beta 2C chain	0.0171	1	1
Echinococcus multilocularis	tubulin alpha chain	0.0154	0.8797	0.8797
Loa Loa (eye worm)	tubulin beta chain	0.0171	1	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0154	0.8797	0.8391
Leishmania major	alpha tubulin	0.0154	0.8797	0.8391
Plasmodium vivax	tubulin alpha chain, putative	0.0154	0.8797	0.8391
Plasmodium vivax	tubulin epsilon chain, putative	0.0154	0.8797	0.8391
Trypanosoma brucei	tubulin gamma chain	0.0154	0.8797	0.8391
Trichomonas vaginalis	tubulin beta chain, putative	0.0154	0.8797	0.8391
Leishmania major	alpha tubulin	0.0154	0.8797	0.8391
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0087	0.398	0.1952
Schistosoma mansoni	alpha tubulin	0.0154	0.8797	0.8391
Giardia lamblia	Beta tubulin	0.0171	1	1
Giardia lamblia	Beta tubulin	0.0171	1	1
Echinococcus granulosus	tubulin alpha chain	0.0154	0.8797	0.8797
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0154	0.8797	0.8797
Plasmodium vivax	tubulin alpha chain, putative	0.0154	0.8797	0.8391
Echinococcus multilocularis	tubulin alpha 3 chain	0.0154	0.8797	0.8797
Schistosoma mansoni	tubulin subunit beta	0.0171	1	1
Schistosoma mansoni	tubulin subunit beta	0.0171	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0154	0.8797	0.8391
Echinococcus multilocularis	tubulin alpha chain	0.0154	0.8797	0.8797
Echinococcus granulosus	tubulin subunit beta	0.0171	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0171	1	1
Leishmania major	alpha tubulin	0.0154	0.8797	0.8391
Trypanosoma brucei	epsilon tubulin	0.0154	0.8797	0.8391
Echinococcus multilocularis	tubulin alpha chain	0.0154	0.8797	0.8797
Echinococcus multilocularis	tubulin beta 1 chain	0.0171	1	1
Trichomonas vaginalis	tubulin, putative	0.0171	1	1
Schistosoma mansoni	tubulin subunit alpha	0.0154	0.8797	0.8391
Leishmania major	alpha tubulin	0.0154	0.8797	0.8391
Schistosoma mansoni	tubulin subunit beta	0.0171	1	1
Echinococcus granulosus	tubulin epsilon chain	0.0154	0.8797	0.8797
Loa Loa (eye worm)	BEN-1 protein	0.0171	1	1
Echinococcus granulosus	tubulin alpha chain	0.0154	0.8797	0.8797
Trichomonas vaginalis	tubulin gamma chain, putative	0.0171	1	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0154	0.8797	0.8391
Leishmania major	gamma-tubulin	0.0154	0.8797	0.8391
Schistosoma mansoni	tubulin subunit beta	0.0171	1	1
Echinococcus granulosus	tubulin alpha chain	0.0154	0.8797	0.8797
Trypanosoma cruzi	beta tubulin, putative	0.0171	1	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0171	1	1
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0154	0.8797	0.8391
Giardia lamblia	Alpha-tubulin	0.0154	0.8797	0.8391
Trichomonas vaginalis	tubulin beta chain, putative	0.0171	1	1
Echinococcus granulosus	tubulin beta 1 chain	0.0171	1	1
Plasmodium falciparum	alpha tubulin 1	0.0154	0.8797	0.8391
Echinococcus multilocularis	tubulin subunit TubB	0.0154	0.8797	0.8797
Leishmania major	alpha tubulin	0.0154	0.8797	0.8391
Trypanosoma brucei	alpha tubulin	0.0154	0.8797	0.8391
Loa Loa (eye worm)	hypothetical protein	0.0087	0.398	0.1952
Plasmodium falciparum	tubulin epsilon chain, putative	0.0154	0.8797	0.8391
Echinococcus granulosus	Tubulin beta 2C chain	0.0171	1	1
Brugia malayi	beta-tubulin, identical	0.0171	1	1
Giardia lamblia	Beta tubulin	0.0171	1	1
Trypanosoma brucei	epsilon tubulin	0.0154	0.8797	0.8391
Trypanosoma cruzi	alpha tubulin, putative	0.0154	0.8797	0.8391
Brugia malayi	tubulin alpha-2 chain	0.0154	0.8797	0.8391
Giardia lamblia	Alpha-tubulin	0.0154	0.8797	0.8391
Leishmania major	alpha tubulin	0.0154	0.8797	0.8391
Trypanosoma brucei	beta tubulin	0.0171	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0154	0.8797	0.8391
Leishmania major	beta tubulin	0.0171	1	1
Trypanosoma brucei	epsilon tubulin	0.0154	0.8797	0.8391
Trypanosoma brucei	beta tubulin	0.0154	0.8797	0.8391
Leishmania major	beta tubulin	0.0171	1	1
Plasmodium falciparum	alpha tubulin 2	0.0154	0.8797	0.8391
Leishmania major	beta tubulin	0.0171	1	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0171	1	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0154	0.8797	0.8797
Brugia malayi	Tubulin alpha-2 chain	0.0154	0.8797	0.8391
Leishmania major	beta tubulin	0.0171	1	1
Echinococcus multilocularis	tubulin alpha 1C chain	0.0154	0.8797	0.8797
Toxoplasma gondii	alpha-tubulin I, putative	0.0154	0.8797	0.8391
Trichomonas vaginalis	tubulin beta chain, putative	0.0154	0.8797	0.8391
Echinococcus granulosus	tubulin gamma 1 chain	0.0154	0.8797	0.8797
Leishmania major	beta tubulin	0.0171	1	1
Echinococcus granulosus	tubulin alpha 1C chain	0.0154	0.8797	0.8797
Schistosoma mansoni	alpha tubulin	0.0154	0.8797	0.8391
Schistosoma mansoni	tubulin subunit beta	0.0171	1	1
Plasmodium vivax	tubulin beta chain, putative	0.0171	1	1
Echinococcus granulosus	tubulin alpha 3 chain	0.0154	0.8797	0.8797
Schistosoma mansoni	alpha tubulin	0.0154	0.8797	0.8391
Brugia malayi	Tubulin beta chain	0.0087	0.398	0.1952
Giardia lamblia	Gamma tubulin	0.0154	0.8797	0.8391
Echinococcus granulosus	tubulin alpha 1C chain	0.0154	0.8797	0.8797
Leishmania major	beta tubulin	0.0171	1	1
Leishmania major	beta tubulin	0.0171	1	1
Echinococcus multilocularis	tubulin epsilon chain	0.0154	0.8797	0.8797
Trypanosoma brucei	alpha tubulin, putative	0.0087	0.398	0.1952
Leishmania major	beta tubulin	0.0171	1	1
Echinococcus granulosus	peroxisome assembly protein 26	0.0154	0.8797	0.8797
Brugia malayi	Tubulin alpha chain	0.0154	0.8797	0.8391
Trypanosoma brucei	alpha tubulin	0.0154	0.8797	0.8391
Leishmania major	alpha tubulin	0.0154	0.8797	0.8391
Loa Loa (eye worm)	tubulin alpha chain	0.0154	0.8797	0.8391
Trypanosoma brucei	alpha tubulin	0.0154	0.8797	0.8391
Loa Loa (eye worm)	tubulin alpha 2	0.0087	0.398	0.1952
Loa Loa (eye worm)	tubulin alpha 2	0.0087	0.398	0.1952
Toxoplasma gondii	beta tubulin	0.0171	1	1
Trypanosoma brucei	beta tubulin	0.0171	1	1
Echinococcus granulosus	tubulin alpha chain	0.0154	0.8797	0.8797
Brugia malayi	Tubulin alpha-2 chain	0.0154	0.8797	0.8391
Leishmania major	beta tubulin	0.0171	1	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0087	0.398	0.1952
Echinococcus granulosus	beta tubulin	0.0171	1	1
Leishmania major	beta tubulin	0.0171	1	1
Brugia malayi	Tubulin gamma chain	0.0154	0.8797	0.8391
Brugia malayi	tubulin alpha chain - mouse	0.0154	0.8797	0.8391
Echinococcus granulosus	alpha tubulin	0.0154	0.8797	0.8797
Echinococcus multilocularis	tubulin gamma 1 chain	0.0154	0.8797	0.8797
Echinococcus granulosus	tubulin beta 4A class IVa	0.0171	1	1
Echinococcus multilocularis	tubulin alpha 1C chain	0.0154	0.8797	0.8797
Echinococcus multilocularis	Tubulin beta 2C chain	0.0171	1	1
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0087	0.398	0.1952
Echinococcus granulosus	beta tubulin	0.0171	1	1
Leishmania major	beta tubulin	0.0171	1	1
Trichomonas vaginalis	tubulin, putative	0.0087	0.398	0.1952
Trichomonas vaginalis	tubulin alpha chain, putative	0.0087	0.398	0.1952
Schistosoma mansoni	tubulin subunit beta	0.0171	1	1
Toxoplasma gondii	beta-tubulin, putative	0.0171	1	1
Echinococcus multilocularis	beta tubulin	0.0171	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0171	1	1
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0171	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0171	1	1
Trypanosoma brucei	alpha tubulin	0.0154	0.8797	0.8391
Echinococcus granulosus	tubulin alpha chain	0.0154	0.8797	0.8797
Echinococcus multilocularis	tubulin alpha	0.0154	0.8797	0.8797
Echinococcus multilocularis	Tubulin beta 2C chain	0.0171	1	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.0154	0.8797	0.8391
Trypanosoma cruzi	epsilon tubulin, putative	0.0154	0.8797	0.8391
Mycobacterium tuberculosis	Cell division protein FtsZ	0.0067	0.252	0.5
Echinococcus granulosus	Tubulin alpha 1 chain	0.0154	0.8797	0.8797
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0087	0.398	0.1952
Loa Loa (eye worm)	tubulin beta-2A chain	0.0171	1	1
Mycobacterium leprae	cell division protein FtsZ	0.0067	0.252	0.5
Leishmania major	beta tubulin	0.0171	1	1
Trypanosoma brucei	beta tubulin	0.0171	1	1
Leishmania major	alpha tubulin	0.0154	0.8797	0.8391
Trichomonas vaginalis	tubulin alpha chain, putative	0.0171	1	1
Loa Loa (eye worm)	alpha-tubulin	0.0154	0.8797	0.8391
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0154	0.8797	0.8797
Trichomonas vaginalis	tubulin beta chain, putative	0.0154	0.8797	0.8391
Schistosoma mansoni	tubulin subunit alpha	0.0154	0.8797	0.8391
Mycobacterium ulcerans	cell division protein FtsZ	0.0067	0.252	0.5
Entamoeba histolytica	tubulin family protein	0.0171	1	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0087	0.398	0.1952
Echinococcus granulosus	Tubulin beta 2C chain	0.0171	1	1
Leishmania major	beta tubulin	0.0171	1	1
Echinococcus multilocularis	tubulin alpha 3 chain	0.0154	0.8797	0.8797
Leishmania major	alpha tubulin	0.0154	0.8797	0.8391
Leishmania major	alpha tubulin	0.0154	0.8797	0.8391
Loa Loa (eye worm)	beta-tubulin	0.0171	1	1
Echinococcus multilocularis	hypothetical protein	0.0154	0.8797	0.8797
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0154	0.8797	0.8797
Echinococcus multilocularis	peroxisome assembly protein 26	0.0154	0.8797	0.8797
Loa Loa (eye worm)	tubulin beta-1 chain	0.0171	1	1
Leishmania major	alpha tubulin	0.0154	0.8797	0.8391
Loa Loa (eye worm)	tubulin alpha chain	0.0154	0.8797	0.8391
Leishmania major	beta tubulin	0.0171	1	1
Onchocerca volvulus		0.0087	0.398	0.5
Leishmania major	beta tubulin	0.0171	1	1
Echinococcus granulosus	tubulin alpha	0.0154	0.8797	0.8797
Leishmania major	beta tubulin	0.0171	1	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.0154	0.8797	0.8391
Treponema pallidum	cell division protein FtsZ	0.0067	0.252	0.5
Trichomonas vaginalis	tubulin, putative	0.0087	0.398	0.1952
Trichomonas vaginalis	tubulin beta chain, putative	0.0154	0.8797	0.8391
Brugia malayi	alpha-tubulin	0.0154	0.8797	0.8391
Echinococcus multilocularis	beta tubulin	0.0171	1	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0154	0.8797	0.8391
Toxoplasma gondii	beta-1 tubulin, putative	0.0171	1	1
Schistosoma mansoni	tubulin subunit alpha	0.0154	0.8797	0.8391
Echinococcus granulosus	tubulin delta chain	0.0067	0.252	0.252
Plasmodium falciparum	tubulin beta chain	0.0171	1	1
Plasmodium falciparum	tubulin gamma chain	0.0154	0.8797	0.8391
Trichomonas vaginalis	tubulin beta chain, putative	0.0087	0.398	0.1952
Echinococcus granulosus	Tubulin beta 2C chain	0.0171	1	1
Loa Loa (eye worm)	tubulin gamma chain	0.0154	0.8797	0.8391
Trypanosoma cruzi	tubulin gamma chain	0.0154	0.8797	0.8391
Leishmania major	epsilon tubulin, putative	0.0154	0.8797	0.8391
Trypanosoma brucei	beta tubulin	0.0171	1	1
Schistosoma mansoni	tubulin subunit gamma	0.0154	0.8797	0.8391
Echinococcus granulosus	tubulin alpha 3 chain	0.0154	0.8797	0.8797
Loa Loa (eye worm)	hypothetical protein	0.0154	0.8797	0.8391
Echinococcus multilocularis	tubulin alpha chain	0.0154	0.8797	0.8797
Plasmodium vivax	tubulin gamma chain, putative	0.0154	0.8797	0.8391
Leishmania major	beta tubulin	0.0171	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0171	1	1
Leishmania major	beta tubulin	0.0171	1	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0154	0.8797	0.8391
Loa Loa (eye worm)	BEN-1 protein	0.0171	1	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0154	0.8797	0.8797

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 20 nM	Binding affinity at the glycine binding site of the N-methyl-D-aspartate glutamate receptor in rat cortical membranes using [3H]-dichlorokynurenate ([3H]-DCKA) as radioligand	ChEMBL.	No reference
IC50 (binding)	= 20 nM	Binding affinity at the glycine binding site of the N-methyl-D-aspartate glutamate receptor in rat cortical membranes using [3H]-dichlorokynurenate ([3H]-DCKA) as radioligand	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 149313