TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 379.282 | Formula: C13H12Cl2N2O3S2
H donors: 1 H acceptors: 3 LogP: 3.87 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCc1ccc(s1)S(=O)(=O)N(C(=O)c1ccc(cc1Cl)Cl)N
InChi: 1S/C13H12Cl2N2O3S2/c1-2-9-4-6-12(21-9)22(19,20)17(16)13(18)10-5-3-8(14)7-11(10)15/h3-7H,2,16H2,1H3
InChiKey: FDVAGHVCQISFMD-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

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
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0332	0.0487	0.2008
Schistosoma mansoni	nephrin	0.0856	0.2133	0.969
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0332	0.0487	0.181
Loa Loa (eye worm)	hypothetical protein	0.0332	0.0487	0.181
Onchocerca volvulus	Basement membrane proteoglycan homolog	0.0332	0.0487	1
Brugia malayi	Prion-like-	0.0332	0.0487	0.2008
Echinococcus granulosus	twitchin	0.0856	0.2133	0.2133
Loa Loa (eye worm)	hypothetical protein	0.0332	0.0487	0.181
Schistosoma mansoni	cell adhesion molecule	0.0332	0.0487	0.2211
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0332	0.0487	0.0487
Echinococcus granulosus	hemicentin 1	0.0332	0.0487	0.0487
Echinococcus multilocularis	tyrosine protein kinase transmembrane receptor	0.0226	0.0154	0.0573
Brugia malayi	hypothetical protein	0.0701	0.1647	0.6794
Echinococcus granulosus	Immunoglobulin	0.0701	0.1647	0.1647
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0701	0.1647	0.6794
Loa Loa (eye worm)	hypothetical protein	0.1032	0.2688	1
Schistosoma mansoni	vesicular amine transporter	0.0701	0.1647	0.7479
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0332	0.0487	0.181
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0701	0.1647	0.7479
Loa Loa (eye worm)	hypothetical protein	0.0332	0.0487	0.181
Echinococcus multilocularis	hemicentin 1	0.0332	0.0487	0.181
Loa Loa (eye worm)	hypothetical protein	0.0332	0.0487	0.181
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0332	0.0487	0.2008
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0332	0.0487	0.2008
Echinococcus multilocularis	hemicentin 1	0.0332	0.0487	0.181
Schistosoma mansoni	neuroglian	0.0332	0.0487	0.2211
Schistosoma mansoni	roundabout	0.0332	0.0487	0.2211
Schistosoma mansoni	cell adhesion molecule	0.0877	0.2202	1
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0332	0.0487	0.181
Echinococcus granulosus	neuroglian	0.0332	0.0487	0.0487
Echinococcus multilocularis	Immunoglobulin	0.0701	0.1647	0.6125
Echinococcus multilocularis	roundabout 2	0.0332	0.0487	0.181
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0332	0.0487	0.181
Echinococcus multilocularis	neuroglian	0.0332	0.0487	0.181
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0332	0.0487	0.181
Echinococcus granulosus	roundabout 2	0.0332	0.0487	0.0487
Echinococcus multilocularis	peroxidasin	0.0332	0.0487	0.181
Echinococcus multilocularis	lachesin	0.0332	0.0487	0.181
Loa Loa (eye worm)	hypothetical protein	0.0701	0.1647	0.6125
Loa Loa (eye worm)	hypothetical protein	0.0701	0.1647	0.6125
Echinococcus granulosus	lachesin	0.0332	0.0487	0.0487
Echinococcus granulosus	defective proboscis extension response	0.0701	0.1647	0.1647
Schistosoma mansoni	cell adhesion molecule	0.0332	0.0487	0.2211
Echinococcus granulosus	neuroglian	0.0856	0.2133	0.2133
Schistosoma mansoni	septate junction protein	0.0332	0.0487	0.2211
Schistosoma mansoni	titin	0.0332	0.0487	0.2211
Echinococcus multilocularis	roundabout 2	0.1032	0.2688	1
Echinococcus multilocularis	neurotracting:lsamp:neurotrimin:obcam	0.0332	0.0487	0.181
Echinococcus granulosus	tyrosine protein kinase transmembrane receptor	0.0226	0.0154	0.0154
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0948	0.2424	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0332	0.0487	0.2008
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0332	0.0487	0.181
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0332	0.0487	0.2008
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0226	0.0154	0.0635
Echinococcus multilocularis	contactin neuroglian septate junction protein	0.0332	0.0487	0.181
Loa Loa (eye worm)	hypothetical protein	0.0332	0.0487	0.181
Schistosoma mansoni	cell adhesion molecule	0.0332	0.0487	0.2211
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0332	0.0487	0.181
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0701	0.1647	0.7479
Schistosoma mansoni	septate junction protein	0.0332	0.0487	0.2211
Echinococcus granulosus	roundabout 2	0.1032	0.2688	0.2688
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0332	0.0487	0.2008
Echinococcus multilocularis	tyrosine protein kinase otk	0.0332	0.0487	0.181
Loa Loa (eye worm)	TK protein kinase	0.0226	0.0154	0.0573
Brugia malayi	Peroxidasin	0.0332	0.0487	0.2008
Schistosoma mansoni	tyrosine kinase	0.0402	0.0709	0.322
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0332	0.0487	0.2008
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0332	0.0487	0.2008
Echinococcus multilocularis	Immunoglobulin	0.0701	0.1647	0.6125
Loa Loa (eye worm)	hypothetical protein	0.0332	0.0487	0.181
Loa Loa (eye worm)	hypothetical protein	0.0701	0.1647	0.6125
Schistosoma mansoni	nephrin	0.0332	0.0487	0.2211
Echinococcus granulosus	contactin	0.0332	0.0487	0.0487
Loa Loa (eye worm)	hypothetical protein	0.0332	0.0487	0.181
Echinococcus granulosus	peroxidasin	0.0332	0.0487	0.0487
Loa Loa (eye worm)	hypothetical protein	0.1032	0.2688	1
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0877	0.2202	0.2202
Schistosoma mansoni	neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule	0.0332	0.0487	0.2211
Echinococcus granulosus	roundabout 2	0.0332	0.0487	0.0487
Brugia malayi	Fibronectin type III domain containing protein	0.0701	0.1647	0.6794
Loa Loa (eye worm)	hypothetical protein	0.0332	0.0487	0.181
Echinococcus multilocularis	roundabout 2	0.0332	0.0487	0.181
Loa Loa (eye worm)	hypothetical protein	0.0701	0.1647	0.6125
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0332	0.0487	0.2211
Echinococcus granulosus	tyrosine protein kinase otk	0.0332	0.0487	0.0487
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0701	0.1647	0.6125
Loa Loa (eye worm)	hypothetical protein	0.0701	0.1647	0.6125
Loa Loa (eye worm)	hypothetical protein	0.0877	0.2202	0.819
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0332	0.0487	0.2008
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0948	0.2424	0.9016
Loa Loa (eye worm)	hypothetical protein	0.0701	0.1647	0.6125
Echinococcus multilocularis	neuroglian	0.0856	0.2133	0.7936
Loa Loa (eye worm)	TK/ROR protein kinase	0.0226	0.0154	0.0573

Activities

Activity type	Activity value	Assay description	Source	Reference
cLogP	= 4.26	c Log P value of the compound was determined	ChEMBL.	15664824
IC50 (functional)	= 0.31 uM	Inhibitory concentration of the compound against Vascular Endothelial Growth Factor dependent Human Umbilical Vascular Endothelial Cells (VEGF-HUVEC)	ChEMBL.	15664824

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

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 320393