TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 286.289 | Formula: C13H14N6O2
H donors: 2 H acceptors: 3 LogP: -0.34 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: OC[C@@H]1C=C[C@@H](O1)n1cc2c3c1ncnc3n(nc2N)C
InChi: 1S/C13H14N6O2/c1-18-12-10-8(11(14)17-18)4-19(13(10)16-6-15-12)9-3-2-7(5-20)21-9/h2-4,6-7,9,20H,5H2,1H3,(H2,14,17)/t7-,9?/m0/s1
InChiKey: CEUZYQOSYZVMSQ-JAVCKPHESA-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	Calcitonin receptor-like protein seb-1	0.0051	0.0804	0.0804
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.1492	0.2527
Schistosoma mansoni	hypothetical protein	0.005	0.0731	0.1239
Loa Loa (eye worm)	hypothetical protein	0.0154	0.5904	0.5904
Echinococcus multilocularis	tar DNA binding protein	0.0065	0.1492	0.147
Loa Loa (eye worm)	hypothetical protein	0.005	0.0731	0.0731
Schistosoma mansoni	slit	0.005	0.0731	0.1239
Brugia malayi	Muscle positioning protein 4	0.005	0.0731	0.0731
Onchocerca volvulus	Dual oxidase homolog	0.0237	1	1
Schistosoma mansoni	peroxidasin	0.0154	0.5904	1
Loa Loa (eye worm)	animal heme peroxidase	0.0154	0.5904	0.5904
Loa Loa (eye worm)	hypothetical protein	0.0154	0.5904	0.5904
Loa Loa (eye worm)	hypothetical protein	0.005	0.0731	0.0731
Loa Loa (eye worm)	hypothetical protein	0.0154	0.5904	0.5904
Brugia malayi	Cadherin domain containing protein	0.005	0.0731	0.0731
Onchocerca volvulus	Peroxidasin homolog	0.0154	0.5904	0.5581
Echinococcus multilocularis	peroxidasin	0.0154	0.5904	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.0804	0.0804
Onchocerca volvulus	Chorion peroxidase homolog	0.0154	0.5904	0.5581
Loa Loa (eye worm)	notch protein	0.005	0.0731	0.0731
Brugia malayi	hypothetical protein	0.0154	0.5904	0.5904
Brugia malayi	EGF-like domain containing protein	0.005	0.0731	0.0731
Loa Loa (eye worm)	animal heme peroxidase	0.0154	0.5904	0.5904
Schistosoma mansoni	hypothetical protein	0.005	0.0731	0.1239
Loa Loa (eye worm)	hypothetical protein	0.0154	0.5904	0.5904
Loa Loa (eye worm)	hypothetical protein	0.005	0.0731	0.0731
Brugia malayi	EGF-like domain containing protein	0.005	0.0731	0.0731
Schistosoma mansoni	notch	0.005	0.0731	0.1239
Schistosoma mansoni	hypothetical protein	0.005	0.0731	0.1239
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.1492	0.2527
Trypanosoma brucei	ferric reductase transmembrane protein, putative	0.0039	0.0185	0.5
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.005	0.0731	0.0731
Loa Loa (eye worm)	RNA binding protein	0.0065	0.1492	0.1492
Loa Loa (eye worm)	hypothetical protein	0.0154	0.5904	0.5904
Loa Loa (eye worm)	hypothetical protein	0.005	0.0731	0.0731
Brugia malayi	Delta serrate ligand family protein	0.005	0.0731	0.0731
Loa Loa (eye worm)	hypothetical protein	0.005	0.0731	0.0731
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.1492	0.2527
Loa Loa (eye worm)	hypothetical protein	0.005	0.0731	0.0731
Onchocerca volvulus		0.0154	0.5904	0.5581
Loa Loa (eye worm)	hypothetical protein	0.005	0.0731	0.0731
Loa Loa (eye worm)	hypothetical protein	0.0154	0.5904	0.5904
Brugia malayi	Calcium binding EGF domain containing protein	0.005	0.0731	0.0731
Loa Loa (eye worm)	hypothetical protein	0.0154	0.5904	0.5904
Brugia malayi	RNA recognition motif domain containing protein	0.0065	0.1492	0.1492
Brugia malayi	Animal haem peroxidase family protein	0.0154	0.5904	0.5904
Brugia malayi	Animal haem peroxidase family protein	0.0154	0.5904	0.5904
Loa Loa (eye worm)	animal heme peroxidase	0.0154	0.5904	0.5904
Loa Loa (eye worm)	hypothetical protein	0.0154	0.5904	0.5904
Loa Loa (eye worm)	hypothetical protein	0.0154	0.5904	0.5904
Loa Loa (eye worm)	hypothetical protein	0.0198	0.8078	0.8078
Loa Loa (eye worm)	hypothetical protein	0.005	0.0731	0.0731
Loa Loa (eye worm)	hypothetical protein	0.005	0.0731	0.0731
Loa Loa (eye worm)	hypothetical protein	0.005	0.0731	0.0731
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0804	0.0804
Brugia malayi	GCC2 and GCC3 family protein	0.005	0.0731	0.0731
Schistosoma mansoni	septate junction protein	0.005	0.0731	0.1239
Brugia malayi	notch-like transmembrane receptor	0.005	0.0731	0.0731
Loa Loa (eye worm)	hypothetical protein	0.005	0.0731	0.0731
Onchocerca volvulus	Peroxidasin homolog	0.0154	0.5904	0.5581
Loa Loa (eye worm)	hypothetical protein	0.0154	0.5904	0.5904
Echinococcus granulosus	peroxidasin	0.0154	0.5904	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0731	0.0731
Brugia malayi	TAR-binding protein	0.0065	0.1492	0.1492
Schistosoma mansoni	hypothetical protein	0.005	0.0731	0.1239
Leishmania major	ferric reductase, putative	0.0039	0.0185	0.5
Onchocerca volvulus	Peroxidase homolog	0.0154	0.5904	0.5581
Schistosoma mansoni	cell polarity protein	0.005	0.0731	0.1239
Brugia malayi	Animal haem peroxidase family protein	0.0154	0.5904	0.5904
Echinococcus granulosus	tar DNA binding protein	0.0065	0.1492	0.147
Onchocerca volvulus	Peroxidase homolog	0.0154	0.5904	0.5581
Loa Loa (eye worm)	animal heme peroxidase	0.0154	0.5904	0.5904
Brugia malayi	EGF-like domain containing protein	0.005	0.0731	0.0731
Loa Loa (eye worm)	hypothetical protein	0.005	0.0731	0.0731
Loa Loa (eye worm)	hypothetical protein	0.0154	0.5904	0.5904
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0065	0.1492	0.1492
Schistosoma mansoni	hypothetical protein	0.005	0.0731	0.1239
Schistosoma mansoni	notch	0.005	0.0731	0.1239
Schistosoma mansoni	laminin gamma-3 chain	0.005	0.0731	0.1239
Loa Loa (eye worm)	hypothetical protein	0.005	0.0731	0.0731
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.1492	0.2527
Brugia malayi	Calcium binding EGF domain containing protein	0.005	0.0731	0.0731
Loa Loa (eye worm)	hypothetical protein	0.005	0.0731	0.0731
Schistosoma mansoni	notch	0.005	0.0731	0.1239
Toxoplasma gondii	EGF family domain-containing protein	0.005	0.0731	0.5
Loa Loa (eye worm)	hypothetical protein	0.005	0.0731	0.0731
Loa Loa (eye worm)	hypothetical protein	0.005	0.0731	0.0731
Loa Loa (eye worm)	hypothetical protein	0.005	0.0731	0.0731
Brugia malayi	RNA binding protein	0.0065	0.1492	0.1492
Loa Loa (eye worm)	hypothetical protein	0.005	0.0731	0.0731
Loa Loa (eye worm)	hypothetical protein	0.0154	0.5904	0.5904
Schistosoma mansoni	hypothetical protein	0.005	0.0731	0.1239
Loa Loa (eye worm)	hypothetical protein	0.0154	0.5904	0.5904
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.005	0.0731	0.1239
Schistosoma mansoni	notch	0.005	0.0731	0.1239
Loa Loa (eye worm)	hypothetical protein	0.005	0.0731	0.0731
Giardia lamblia	High cysteine protein	0.005	0.0731	0.5
Onchocerca volvulus		0.0154	0.5904	0.5581
Brugia malayi	EGF-like domain containing protein	0.005	0.0731	0.0731
Brugia malayi	EGF-like domain containing protein	0.005	0.0731	0.0731
Brugia malayi	Peroxidasin	0.0154	0.5904	0.5904
Schistosoma mansoni	notch	0.005	0.0731	0.1239
Schistosoma mansoni	peroxidasin	0.0154	0.5904	1
Brugia malayi	EGF-like domain containing protein	0.005	0.0731	0.0731
Trypanosoma cruzi	ferric reductase transmembrane protein, putative	0.0039	0.0185	0.5
Brugia malayi	Animal haem peroxidase family protein	0.0154	0.5904	0.5904
Loa Loa (eye worm)	Notch2	0.005	0.0731	0.0731
Onchocerca volvulus		0.0154	0.5904	0.5581
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.0804	0.0804
Schistosoma mansoni	hypothetical protein	0.005	0.0731	0.1239
Brugia malayi	Calcium binding EGF domain containing protein	0.005	0.0731	0.0731
Loa Loa (eye worm)	blistered cuticle protein 3	0.0237	1	1
Brugia malayi	EGF-like domain containing protein	0.005	0.0731	0.0731
Brugia malayi	Animal haem peroxidase family protein	0.0154	0.5904	0.5904
Brugia malayi	Cadherin domain containing protein	0.005	0.0731	0.0731
Schistosoma mansoni	notch	0.005	0.0731	0.1239
Loa Loa (eye worm)	hypothetical protein	0.005	0.0731	0.0731
Trypanosoma cruzi	ferric reductase transmembrane protein, putative	0.0039	0.0185	0.5
Loa Loa (eye worm)	TAR-binding protein	0.0065	0.1492	0.1492
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.1492	0.2527
Loa Loa (eye worm)	hypothetical protein	0.005	0.0731	0.0731

Activities

Activity type	Activity value	Assay description	Source	Reference
Concentration (functional)	< 5 uM	Intracellular phosphorylation of the compound (100 microM) in uninfected CEM-SS cells was studied after 24 hrs of Incubation time; Value ranges from 3-5	ChEMBL.	10882371
IC50 (functional)	> 100 uM	Tested in vitro for cytotoxicity against murine L1210 leukemic cells	ChEMBL.	10882371
IC50 (functional)	> 100 uM	Inhibition of KB cell growth was assessed	ChEMBL.	10882371
IC50 (functional)	> 100 uM	Tested for visual cytotoxicity on uninfected HFF cells	ChEMBL.	10882371
IC50 (functional)	> 100 uM	Tested for visual cytotoxicity on uninfected CEM-SS cells	ChEMBL.	10882371
IC50 (binding)	> 100 uM	Antiviral activity was tested in cells acutely infected with HIV-1 RT (reverse transcriptase)	ChEMBL.	10882371
IC50 (functional)	> 100 uM	Antiviral activity was tested using an enzyme-linked immunosorbent assay (ELISA) to detect HSV-1 (herpes simplex virus type 1) using BSC-1 cells	ChEMBL.	10882371
IC50 (functional)	> 100 uM	HCMV plaque assay was performed using HFF cells and effect was calculated as a percentage of reduction in number of plaques	ChEMBL.	10882371

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: 229081

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 132438