TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 437.472 | Formula: C21H19N5O4S
H donors: 0 H acceptors: 3 LogP: 4.58 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCCCc1nn2c(=NC(=O)C(=Cc3ccc(o3)c3cc(ccc3C)[N+](=O)[O-])C2=N)s1
InChi: 1S/C21H19N5O4S/c1-3-4-5-18-24-25-19(22)16(20(27)23-21(25)31-18)11-14-8-9-17(30-14)15-10-13(26(28)29)7-6-12(15)2/h6-11,22H,3-5H2,1-2H3/b16-11+,22-19?
InChiKey: BEVMNBVAKMZJJA-SAIIIAOYSA-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
Echinococcus granulosus	semaphorin 1A	0.0088	0.0733	0.0733
Schistosoma mansoni	tyrosine kinase	0.0098	0.093	0.31
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0733	0.1845
Schistosoma mansoni	hypothetical protein	0.0122	0.1373	0.4575
Loa Loa (eye worm)	plexin A	0.0248	0.3713	1
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0065	0.0307	0.0827
Echinococcus multilocularis	epidermal growth factor receptor	0.0169	0.2254	0.607
Echinococcus multilocularis	roundabout 2	0.0051	0.0058	0.0157
Brugia malayi	Furin-like cysteine rich region family protein	0.0169	0.2254	0.5716
Echinococcus granulosus	semaphorin 5B	0.0088	0.0733	0.0733
Loa Loa (eye worm)	sema domain-containing protein	0.0088	0.0733	0.1845
Schistosoma mansoni	plexin	0.021	0.3	1
Loa Loa (eye worm)	hypothetical protein	0.0122	0.1373	0.3596
Echinococcus multilocularis	semaphorin 5B	0.0088	0.0733	0.1973
Echinococcus multilocularis	plexin a4	0.0248	0.3713	1
Echinococcus granulosus	roundabout 2	0.0051	0.0058	0.0058
Echinococcus granulosus	plexin a4	0.0248	0.3713	0.3713
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0098	0.093	0.093
Schistosoma mansoni	tyrosine kinase	0.0065	0.0307	0.1024
Schistosoma mansoni	tyrosine kinase	0.0082	0.0626	0.2086
Echinococcus multilocularis	insulin receptor	0.0065	0.0307	0.0827
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0169	0.2254	0.6008
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0204	0.2889	0.7743
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0733	0.1845
Schistosoma mansoni	semaphorin 5-related	0.0088	0.0733	0.2442
Schistosoma mansoni	hypothetical protein	0.0088	0.0733	0.2442
Onchocerca volvulus		0.021	0.3	1
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0065	0.0307	0.0307
Brugia malayi	hypothetical protein	0.0088	0.0733	0.1249
Onchocerca volvulus	Tyrosine kinase homolog	0.0165	0.2178	0.6376
Schistosoma mansoni	hypothetical protein	0.0088	0.0733	0.2442
Brugia malayi	Sema domain containing protein	0.0088	0.0733	0.1249
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0733	0.1845
Loa Loa (eye worm)	TK/INSR protein kinase	0.0065	0.0307	0.0681
Echinococcus multilocularis	epidermal growth factor receptor	0.0098	0.093	0.2505
Brugia malayi	plexin A	0.0248	0.3713	1
Brugia malayi	hypothetical protein	0.0088	0.0733	0.1249
Brugia malayi	Sema domain containing protein	0.0088	0.0733	0.1249
Schistosoma mansoni	plexin	0.0122	0.1373	0.4575
Echinococcus granulosus	insulin receptor	0.0065	0.0307	0.0307
Schistosoma mansoni	tyrosine kinase	0.0082	0.0626	0.2086
Schistosoma mansoni	tyrosine kinase	0.0065	0.0307	0.1024
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0733	0.1845
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0204	0.2889	0.7579
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0733	0.1845
Schistosoma mansoni	tyrosine kinase	0.0098	0.093	0.31
Entamoeba histolytica	protein kinase domain containing protein	0.0055	0.0122	0.5
Schistosoma mansoni	tyrosine kinase	0.0169	0.2254	0.7513
Echinococcus granulosus	epidermal growth factor receptor	0.0098	0.093	0.093
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0733	0.1845
Loa Loa (eye worm)	sema domain-containing protein	0.0088	0.0733	0.1845
Brugia malayi	Plexin repeat family protein	0.021	0.3	0.7906
Schistosoma mansoni	tyrosine kinase	0.0082	0.0626	0.2086
Entamoeba histolytica	tyrosin kinase, putative	0.0055	0.0122	0.5
Echinococcus granulosus	epidermal growth factor receptor	0.0169	0.2254	0.2254
Loa Loa (eye worm)	hypothetical protein	0.021	0.3	0.8049
Onchocerca volvulus		0.0142	0.1753	0.4499
Echinococcus multilocularis	hypothetical protein	0.0088	0.0733	0.1973

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 806402