TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 465.629 | Formula: C22H31N3O4S2
H donors: 1 H acceptors: 3 LogP: 2.99 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)c1c2CCN(Cc2sc1S(=O)(=O)NCCN(C)C)Cc1ccc(cc1)CC
InChi: 1S/C22H31N3O4S2/c1-5-16-6-8-17(9-7-16)14-25-12-10-18-19(15-25)30-22(20(18)21(26)29-4)31(27,28)23-11-13-24(2)3/h6-9,23H,5,10-15H2,1-4H3
InChiKey: WBTSHBVVWKRWPP-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
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0523	0.6762	0.8754
Leishmania major	hypothetical protein, conserved	0.0166	0.1344	0.5
Loa Loa (eye worm)	hypothetical protein	0.0256	0.2713	0.3366
Loa Loa (eye worm)	lethal protein 805	0.0166	0.1344	0.1546
Echinococcus multilocularis	cell adhesion molecule	0.0166	0.1344	0.1343
Trypanosoma cruzi	Fibronectin type III domain containing protein, putative	0.0166	0.1344	0.5
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0166	0.1344	0.1546
Loa Loa (eye worm)	hypothetical protein	0.0493	0.6306	0.8147
Loa Loa (eye worm)	hypothetical protein	0.0166	0.1344	0.1546
Onchocerca volvulus		0.0166	0.1344	0.6261
Echinococcus multilocularis	roundabout 2	0.0256	0.2713	0.2924
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0256	0.2713	0.3473
Echinococcus granulosus	Fibronectin type III domain containing protein	0.0166	0.1344	0.1183
Echinococcus granulosus	Netrin receptor DCC	0.0166	0.1344	0.1183
Echinococcus granulosus	nephrin	0.0211	0.2016	0.1867
Brugia malayi	Fibronectin type III domain containing protein	0.0166	0.1344	0.1595
Echinococcus granulosus	titin	0.0212	0.2038	0.189
Onchocerca volvulus	Tyrosine kinase homolog	0.0118	0.0614	0.2323
Brugia malayi	Fibronectin type III domain containing protein	0.0166	0.1344	0.1595
Loa Loa (eye worm)	hypothetical protein	0.0166	0.1344	0.1546
Echinococcus granulosus	fibronectin type III domain-containing protein	0.0166	0.1344	0.1183
Onchocerca volvulus		0.0166	0.1344	0.6261
Echinococcus multilocularis	anosmin 1	0.0166	0.1344	0.1343
Onchocerca volvulus		0.0166	0.1344	0.6261
Onchocerca volvulus		0.0166	0.1344	0.6261
Echinococcus multilocularis	Fibronectin, type III	0.0166	0.1344	0.1343
Onchocerca volvulus		0.0166	0.1344	0.6261
Schistosoma mansoni	titin	0.0212	0.2038	0.2325
Echinococcus multilocularis	neuroglian	0.0256	0.2713	0.2924
Loa Loa (eye worm)	CAMK protein kinase	0.0212	0.2038	0.2469
Echinococcus multilocularis	Phosphotidylinositol phosphatase PTPRQ	0.0166	0.1344	0.1343
Echinococcus granulosus	usherin	0.0166	0.1344	0.1183
Loa Loa (eye worm)	TK protein kinase	0.0118	0.0614	0.0574
Echinococcus granulosus	contactin	0.0256	0.2713	0.2577
Echinococcus granulosus	neuroglian	0.0447	0.5609	0.5527
Echinococcus multilocularis	Fibronectin type III domain containing protein	0.0166	0.1344	0.1343
Echinococcus multilocularis	roundabout 2	0.0659	0.8835	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0211	0.2016	0.2516
Echinococcus multilocularis	Netrin receptor DCC	0.0166	0.1344	0.1343
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0256	0.2713	0.2924
Echinococcus multilocularis	STE20 serine:threonine protein kinase	0.0551	0.7197	0.8106
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0258	0.2735	0.3396
Onchocerca volvulus		0.0211	0.2016	0.9879
Onchocerca volvulus		0.0212	0.2038	1
Loa Loa (eye worm)	hypothetical protein	0.0211	0.2016	0.2439
Echinococcus multilocularis	anosmin 1	0.0166	0.1344	0.1343
Echinococcus multilocularis	roundabout 2	0.0256	0.2713	0.2924
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0211	0.2016	0.2516
Loa Loa (eye worm)	UNCoordinated family member	0.0166	0.1344	0.1546
Schistosoma mansoni	factor for adipocyte differentiation	0.0166	0.1344	0.1456
Echinococcus granulosus	Phosphotidylinositol phosphatase PTPRQ	0.0166	0.1344	0.1183
Loa Loa (eye worm)	hypothetical protein	0.055	0.7174	0.9302
Loa Loa (eye worm)	hypothetical protein	0.0166	0.1344	0.1546
Echinococcus granulosus	roundabout 2	0.0256	0.2713	0.2577
Loa Loa (eye worm)	hypothetical protein	0.0211	0.2016	0.2439
Loa Loa (eye worm)	hypothetical protein	0.0569	0.7467	0.9692
Onchocerca volvulus		0.0211	0.2016	0.9879
Schistosoma mansoni	cell adhesion molecule	0.0211	0.2016	0.2297
Echinococcus multilocularis	titin	0.0166	0.1344	0.1343
Echinococcus granulosus	anosmin 1	0.0166	0.1344	0.1183
Brugia malayi	protein unc-22	0.0212	0.2038	0.2547
Echinococcus multilocularis	titin	0.0212	0.2038	0.2144
Schistosoma mansoni	protein kinase	0.0192	0.1733	0.1943
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0569	0.7467	1
Loa Loa (eye worm)	hypothetical protein	0.0403	0.4938	0.6326
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0256	0.2713	0.3473
Schistosoma mansoni	factor for adipocyte differentiation	0.0166	0.1344	0.1456
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0256	0.2713	0.2577
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0211	0.2016	0.2516
Schistosoma mansoni	hypothetical protein	0.0166	0.1344	0.1456
Onchocerca volvulus		0.0166	0.1344	0.6261
Schistosoma mansoni	hemicentin	0.0211	0.2016	0.2297
Brugia malayi	hypothetical protein	0.0166	0.1344	0.1595
Loa Loa (eye worm)	hypothetical protein	0.0166	0.1344	0.1546
Loa Loa (eye worm)	hypothetical protein	0.0403	0.4938	0.6326
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0212	0.2038	0.2547
Brugia malayi	SPRY domain containing protein	0.0166	0.1344	0.1595
Trypanosoma brucei	Fibronectin type III domain containing protein, putative	0.0166	0.1344	0.5
Brugia malayi	Fibronectin type III domain containing protein	0.0166	0.1344	0.1595
Onchocerca volvulus		0.0166	0.1344	0.6261
Trypanosoma cruzi	hypothetical protein, conserved	0.0166	0.1344	0.5
Schistosoma mansoni	myosin-binding protein-related	0.0211	0.2016	0.2297
Schistosoma mansoni	cell adhesion molecule	0.0211	0.2016	0.2297
Echinococcus granulosus	anosmin 1	0.0166	0.1344	0.1183
Echinococcus granulosus	tyrosine protein kinase transmembrane receptor	0.0118	0.0614	0.0439
Loa Loa (eye worm)	CAMK/CAMKL/NUAK protein kinase	0.0584	0.7699	1
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0211	0.2016	0.2439
Echinococcus granulosus	G1Y162 protein	0.0166	0.1344	0.1183
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.0166	0.1344	0.1343
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0118	0.0614	0.0592
Echinococcus granulosus	Phosphotidylinositol phosphatase PTPRQ	0.0166	0.1344	0.1183
Echinococcus multilocularis	transfer RNA-Phe	0.0211	0.2016	0.2119
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0211	0.2016	0.1867
Brugia malayi	protein-tyrosine phosphatase Lar-like precursor, putative	0.0166	0.1344	0.1595
Brugia malayi	Lethal protein 805	0.0166	0.1344	0.1595
Echinococcus multilocularis	Immunoglobulin	0.0403	0.4938	0.5495
Schistosoma mansoni	cell adhesion molecule	0.0615	0.8164	1
Echinococcus granulosus	peroxidasin	0.009	0.0186	0.0004
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0403	0.4938	0.5495
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0241	0.2472	0.2332
Schistosoma mansoni	protein tyrosine phosphatase	0.0166	0.1344	0.1456
Echinococcus granulosus	STE20 serine:threonine protein kinase	0.0551	0.7197	0.7145
Schistosoma mansoni	nephrin	0.0256	0.2713	0.317
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0256	0.2713	0.3473
Echinococcus multilocularis	peroxidasin	0.009	0.0186	0.0004
Loa Loa (eye worm)	hypothetical protein	0.009	0.0186	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0166	0.1344	0.1546
Echinococcus granulosus	defective proboscis extension response	0.0403	0.4938	0.4843
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0166	0.1344	0.1546
Brugia malayi	Fibronectin type III domain containing protein	0.0166	0.1344	0.1595
Echinococcus granulosus	Fibronectin type III	0.0166	0.1344	0.1183
Echinococcus granulosus	titin	0.0212	0.2038	0.189
Brugia malayi	Peroxidasin	0.009	0.0186	0.0005
Echinococcus granulosus	cell adhesion molecule	0.0166	0.1344	0.1183
Echinococcus multilocularis	usherin	0.0166	0.1344	0.1343
Echinococcus multilocularis	neuroglian	0.0447	0.5609	0.6271
Loa Loa (eye worm)	hypothetical protein	0.0166	0.1344	0.1546
Brugia malayi	Protein kinase domain containing protein	0.0192	0.1733	0.2128
Loa Loa (eye worm)	hypothetical protein	0.0449	0.5634	0.7253
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0241	0.2472	0.2646
Onchocerca volvulus		0.0166	0.1344	0.6261
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0403	0.4938	0.5957
Schistosoma mansoni	cell adhesion molecule	0.0256	0.2713	0.317
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.0166	0.1344	0.1343
Loa Loa (eye worm)	hypothetical protein	0.0166	0.1344	0.1546
Brugia malayi	Protein-tyrosine phosphatase	0.0166	0.1344	0.1595
Loa Loa (eye worm)	hypothetical protein	0.0569	0.7467	0.9692
Schistosoma mansoni	cell adhesion molecule	0.0256	0.2713	0.317
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0211	0.2016	0.2439
Schistosoma mansoni	nephrin	0.0613	0.8139	0.9968
Echinococcus granulosus	neuroglian	0.0256	0.2713	0.2577
Loa Loa (eye worm)	hypothetical protein	0.0569	0.7467	0.9692
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0211	0.2016	0.2439
Onchocerca volvulus		0.0166	0.1344	0.6261
Loa Loa (eye worm)	hypothetical protein	0.0166	0.1344	0.1546
Onchocerca volvulus		0.0166	0.1344	0.6261
Loa Loa (eye worm)	hypothetical protein	0.0166	0.1344	0.1546
Echinococcus granulosus	anosmin 1	0.0166	0.1344	0.1183
Echinococcus granulosus	EG95	0.0166	0.1344	0.1183
Brugia malayi	Fibronectin type III domain containing protein	0.0569	0.7467	1
Echinococcus granulosus	roundabout 2	0.0256	0.2713	0.2577
Echinococcus granulosus	roundabout 2	0.0659	0.8835	0.8814
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 32	0.0166	0.1344	0.1595
Brugia malayi	Fibronectin type III domain containing protein	0.0166	0.1344	0.1595
Loa Loa (eye worm)	TK/ROR protein kinase	0.0118	0.0614	0.0574
Schistosoma mansoni	ephrin receptor	0.0241	0.2472	0.2869
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0166	0.1344	0.1456
Loa Loa (eye worm)	hypothetical protein	0.0166	0.1344	0.1546
Echinococcus multilocularis	anosmin 1	0.0166	0.1344	0.1343
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0166	0.1344	0.1343
Loa Loa (eye worm)	hypothetical protein	0.0403	0.4941	0.6331
Onchocerca volvulus		0.0166	0.1344	0.6261
Echinococcus granulosus	Immunoglobulin	0.0403	0.4938	0.4843
Loa Loa (eye worm)	myotactin form A	0.0166	0.1344	0.1546
Brugia malayi	Lethal protein 805	0.0166	0.1344	0.1595
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0211	0.2016	0.2516
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0256	0.2713	0.2924
Schistosoma mansoni	titin	0.0211	0.2016	0.2297
Schistosoma mansoni	titin	0.0166	0.1344	0.1456
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0211	0.2016	0.2516
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0256	0.2713	0.2924
Loa Loa (eye worm)	hypothetical protein	0.0493	0.6306	0.8147
Brugia malayi	hypothetical protein	0.0569	0.7467	1
Loa Loa (eye worm)	hypothetical protein	0.0166	0.1344	0.1546
Loa Loa (eye worm)	STE/STE20/SLK protein kinase	0.0192	0.1733	0.2063
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0256	0.2713	0.3366
Echinococcus multilocularis	tyrosine protein kinase transmembrane receptor	0.0118	0.0614	0.0498
Schistosoma mansoni	factor for adipocyte differentiation	0.0166	0.1344	0.1456
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0403	0.4938	0.5957
Brugia malayi	myotactin form B	0.0166	0.1344	0.1595
Entamoeba histolytica	tyrosin kinase, putative	0.0078	0	0.5
Schistosoma mansoni	neuroglian	0.0256	0.2713	0.317
Schistosoma mansoni	tripartite motif protein trim9	0.0166	0.1344	0.1456
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0449	0.5634	0.5553
Echinococcus multilocularis	fibronectin type III domain-containing protein	0.0166	0.1344	0.1343
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0211	0.2016	0.2516
Loa Loa (eye worm)	hypothetical protein	0.0166	0.1344	0.1546
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0166	0.1344	0.1456
Echinococcus multilocularis	contactin neuroglian septate junction protein	0.0256	0.2713	0.2924
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0166	0.1344	0.1546
Echinococcus multilocularis	Netrin receptor DCC	0.0166	0.1344	0.1343
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0212	0.2041	0.2551
Schistosoma mansoni	tyrosine kinase	0.0164	0.131	0.1413
Loa Loa (eye worm)	hypothetical protein	0.0166	0.1344	0.1546
Echinococcus granulosus	Netrin receptor DCC	0.0166	0.1344	0.1183
Trypanosoma cruzi	Fibronectin type III domain containing protein, putative	0.0166	0.1344	0.5
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0523	0.6762	0.9032
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0166	0.1344	0.1546
Entamoeba histolytica	protein kinase domain containing protein	0.0078	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0166	0.1344	0.1546
Loa Loa (eye worm)	projectin	0.0211	0.2016	0.2439
Loa Loa (eye worm)	hypothetical protein	0.0166	0.1344	0.1546
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 30.	0.0166	0.1344	0.1595
Brugia malayi	myotactin form A	0.0166	0.1344	0.1595
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.0166	0.1344	0.1183
Schistosoma mansoni	hypothetical protein	0.0166	0.1344	0.1456
Echinococcus granulosus	Down syndrome cell adhesion molecule	0.0212	0.2041	0.1893
Echinococcus granulosus	twitchin	0.0448	0.5631	0.555
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0166	0.1344	0.1183
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0212	0.2038	0.2469
Schistosoma mansoni	receptor protein tyrosine phosphatase	0.0166	0.1344	0.1456
Schistosoma mansoni	hypothetical protein	0.0211	0.2016	0.2297
Echinococcus multilocularis	Immunoglobulin	0.0403	0.4938	0.5495
Schistosoma mansoni	serine/threonine protein kinase	0.0212	0.2038	0.2325
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0212	0.2041	0.2473
Schistosoma mansoni	vesicular amine transporter	0.0403	0.4938	0.5957
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0166	0.1344	0.1456
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0256	0.2713	0.317
Echinococcus multilocularis	Down syndrome cell adhesion molecule	0.0212	0.2041	0.2148

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

Search by Saint Jude

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 814603