TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 292.378 | Formula: C18H20N4
H donors: 0 H acceptors: 0 LogP: 4 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: c1ccc(cc1)/N=N/C=C/N1CCN(CC1)c1ccccc1
InChi: 1S/C18H20N4/c1-3-7-17(8-4-1)20-19-11-12-21-13-15-22(16-14-21)18-9-5-2-6-10-18/h1-12H,13-16H2/b12-11+,20-19+
InChiKey: NLBZNSJMRJWRNV-YHXHTKBISA-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	hypothetical protein	0.0065	0.1457	0.3471
Brugia malayi	TAR-binding protein	0.0127	0.3213	0.3213
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0339	0.0339
Loa Loa (eye worm)	hypothetical protein	0.0185	0.4843	0.4843
Echinococcus granulosus	GPCR family 2	0.0065	0.1457	0.3937
Brugia malayi	hypothetical protein	0.0017	0.008	0.008
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0065	0.1457	0.3937
Plasmodium vivax	ataxin-2 like protein, putative	0.0026	0.0339	0.5
Loa Loa (eye worm)	transcription factor SMAD2	0.0366	1	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0127	0.3213	0.3213
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0065	0.1457	0.3937
Brugia malayi	RNA recognition motif domain containing protein	0.0127	0.3213	0.3213
Schistosoma mansoni	hypothetical protein	0.0141	0.3602	1
Echinococcus multilocularis	tar DNA binding protein	0.0127	0.3213	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0025	0.0316	0.0316
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0065	0.1457	0.1457
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0.0339	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.3213	0.8817
Brugia malayi	MH1 domain containing protein	0.0025	0.0316	0.0316
Schistosoma mansoni	hypothetical protein	0.0065	0.1457	0.3471
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0206	0.545	0.545
Loa Loa (eye worm)	TAR-binding protein	0.0127	0.3213	0.3213
Brugia malayi	Smad1	0.0025	0.0316	0.0316
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0339	0.5
Loa Loa (eye worm)	hypothetical protein	0.0065	0.1457	0.1457
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0065	0.1457	0.3937
Loa Loa (eye worm)	RNA binding protein	0.0127	0.3213	0.3213
Loa Loa (eye worm)	hypothetical protein	0.0141	0.3602	0.3602
Brugia malayi	RNA binding protein	0.0127	0.3213	0.3213
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0339	0.5
Brugia malayi	latrophilin 2 splice variant baaae	0.0141	0.3602	0.3602
Brugia malayi	MH1 domain containing protein	0.0025	0.0316	0.0316
Leishmania major	hypothetical protein, conserved	0.0026	0.0339	0.5
Loa Loa (eye worm)	MH1 domain-containing protein	0.0025	0.0316	0.0316
Echinococcus granulosus	tar DNA binding protein	0.0127	0.3213	1
Brugia malayi	N-terminal motif family protein	0.0185	0.4843	0.4843
Echinococcus multilocularis	GPCR, family 2	0.0065	0.1457	0.3937
Schistosoma mansoni	hypothetical protein	0.0065	0.1457	0.3471
Brugia malayi	Latrophilin receptor protein 2	0.0065	0.1457	0.1457
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0339	0.5
Brugia malayi	hypothetical protein	0.0172	0.4473	0.4473
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.3213	0.8817
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0339	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.3213	0.8817
Loa Loa (eye worm)	hypothetical protein	0.0172	0.4473	0.4473
Brugia malayi	MH2 domain containing protein	0.0025	0.0316	0.0316
Schistosoma mansoni	hypothetical protein	0.0065	0.1457	0.3471
Brugia malayi	hypothetical protein	0.0026	0.0339	0.0339
Toxoplasma gondii	LsmAD domain-containing protein	0.0026	0.0339	0.5
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0185	0.4843	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0366	1	1
Loa Loa (eye worm)	Smad1	0.0025	0.0316	0.0316
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.3213	0.8817
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0206	0.545	0.545
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0206	0.545	0.545
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0065	0.1457	0.3937
Loa Loa (eye worm)	hypothetical protein	0.0206	0.545	0.545
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.3213	0.8817
Brugia malayi	MH2 domain containing protein	0.0025	0.0316	0.0316
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0065	0.1457	0.1457

Activities

Activity type	Activity value	Assay description	Source	Reference
CC50 (ADMET)	= 15 uM	Cytotoxicity against mock-infected human MT4 cells assessed as reduction in cell viability after 96 hrs by MTT assay	ChEMBL.	18760610

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

ChEMBL: CHEMBL490999

Bibliographic References

No literature references available for this target.

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Detailed information for compound 995580