TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 492.544 | Formula: C21H21FN4O5S2
H donors: 1 H acceptors: 5 LogP: 2.45 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)c1c2CCN(Cc2sc1S(=O)(=O)Nc1ccc(c(c1)F)C)C(=O)c1ccnn1C
InChi: 1S/C21H21FN4O5S2/c1-12-4-5-13(10-15(12)22)24-33(29,30)21-18(20(28)31-3)14-7-9-26(11-17(14)32-21)19(27)16-6-8-23-25(16)2/h4-6,8,10,24H,7,9,11H2,1-3H3
InChiKey: NTZBMBPDVPKUHX-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

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
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0027	0.38	0.4253
Schistosoma mansoni	cell adhesion molecule	0.0043	0.8933	1
Echinococcus granulosus	roundabout 2	0.0019	0.1089	0.1089
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0019	0.1089	0.1389
Echinococcus granulosus	defective proboscis extension response	0.0027	0.38	0.38
Echinococcus multilocularis	roundabout 2	0.0019	0.1089	0.1089
Loa Loa (eye worm)	hypothetical protein	0.004	0.7844	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.4889	0.6233
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0019	0.1089	0.1089
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0018	0.0629	0.0629
Schistosoma mansoni	nephrin	0.0019	0.1089	0.1219
Brugia malayi	hypothetical protein	0.004	0.7844	1
Echinococcus multilocularis	roundabout 2	0.0019	0.1089	0.1089
Echinococcus multilocularis	Immunoglobulin	0.0027	0.38	0.38
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0019	0.1089	0.1389
Schistosoma mansoni	cell adhesion molecule	0.0019	0.1089	0.1219
Echinococcus multilocularis	roundabout 2	0.0046	1	1
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0018	0.0629	0.0629
Loa Loa (eye worm)	hypothetical protein	0.0027	0.38	0.4844
Echinococcus granulosus	contactin	0.0019	0.1089	0.1089
Echinococcus multilocularis	Immunoglobulin	0.0027	0.38	0.38
Loa Loa (eye worm)	hypothetical protein	0.004	0.7844	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0036	0.6584	0.8394
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0019	0.1089	0.1089
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0019	0.1089	0.1219
Schistosoma mansoni	ephrin receptor	0.0018	0.0629	0.0704
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0019	0.1089	0.1389
Echinococcus granulosus	Down syndrome cell adhesion molecule	0.0016	0.0023	0.0023
Echinococcus multilocularis	Down syndrome cell adhesion molecule	0.0016	0.0023	0.0023
Loa Loa (eye worm)	hypothetical protein	0.0027	0.38	0.4844
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0019	0.1089	0.1389
Loa Loa (eye worm)	hypothetical protein	0.0034	0.5956	0.7593
Loa Loa (eye worm)	hypothetical protein	0.0019	0.1089	0.1389
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0019	0.1089	0.1089
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0016	0.0023	0.0029
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0019	0.1089	0.1089
Echinococcus multilocularis	neuroglian	0.003	0.4866	0.4866
Echinococcus granulosus	twitchin	0.003	0.4866	0.4866
Schistosoma mansoni	vesicular amine transporter	0.0027	0.38	0.4253
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0031	0.4889	0.4889
Brugia malayi	Immunoglobulin I-set domain containing protein	0.004	0.7844	1
Echinococcus granulosus	Immunoglobulin	0.0027	0.38	0.38
Echinococcus granulosus	neuroglian	0.003	0.4866	0.4866
Onchocerca volvulus		0.0016	0	0.5
Brugia malayi	Fibronectin type III domain containing protein	0.004	0.7844	1
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0019	0.1089	0.1389
Schistosoma mansoni	nephrin	0.0043	0.8911	0.9975
Loa Loa (eye worm)	hypothetical protein	0.0034	0.5956	0.7593
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0036	0.6584	0.8394
Onchocerca volvulus		0.0016	0	0.5
Echinococcus multilocularis	neuroglian	0.0019	0.1089	0.1089
Echinococcus granulosus	neuroglian	0.0019	0.1089	0.1089
Loa Loa (eye worm)	hypothetical protein	0.004	0.7844	1
Onchocerca volvulus		0.0016	0	0.5
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0027	0.38	0.38
Echinococcus granulosus	roundabout 2	0.0019	0.1089	0.1089
Echinococcus multilocularis	contactin neuroglian septate junction protein	0.0019	0.1089	0.1089
Schistosoma mansoni	cell adhesion molecule	0.0019	0.1089	0.1219
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0016	0.0023	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0027	0.38	0.4844
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0027	0.38	0.4253
Schistosoma mansoni	neuroglian	0.0019	0.1089	0.1219

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 814572