Detailed information for compound 68976

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 202.176 | Formula: C7H6N8
  • H donors: 2 H acceptors: 5 LogP: 0.46 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1[nH]nc(n1)Nc1nncc2n1cnc2
  • InChi: 1S/C7H6N8/c1-5-2-10-14-7(15(5)4-8-1)12-6-9-3-11-13-6/h1-4H,(H2,9,11,12,13,14)
  • InChiKey: OQHVROYDYJPPSW-UHFFFAOYSA-N  

Network

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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

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Brugia malayi RE15519p 0.0097 0.3487 0.5
Loa Loa (eye worm) neuropeptide F receptor 0.0097 0.3487 0.3487
Loa Loa (eye worm) hypothetical protein 0.0097 0.3487 0.3487
Loa Loa (eye worm) G-protein coupled receptor 0.0097 0.3487 0.3487
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.0079 0.0396 0.5
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0134 1 1
Brugia malayi neuropeptide F receptor 0.0097 0.3487 0.5
Echinococcus multilocularis 6 phosphofructo 2 kinase:fructose 2 0.0134 1 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.3487 0.3487
Onchocerca volvulus 0.0134 1 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.3487 0.3487
Loa Loa (eye worm) hypothetical protein 0.0097 0.3487 0.3487
Giardia lamblia Hypothetical protein 0.0079 0.0396 0.5
Loa Loa (eye worm) hypothetical protein 0.0134 1 1
Brugia malayi hypothetical protein 0.0097 0.3487 0.5
Brugia malayi putative neuropeptide receptor 0.0097 0.3487 0.5
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0097 0.3487 0.3487
Brugia malayi follicle stimulating hormone receptor 0.0097 0.3487 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0.3487 0.3487
Brugia malayi G-protein coupled receptor 0.0097 0.3487 0.5
Brugia malayi hypothetical protein 0.0097 0.3487 0.5
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0097 0.3487 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0.3487 0.3487
Loa Loa (eye worm) hypothetical protein 0.0097 0.3487 0.3487
Loa Loa (eye worm) hypothetical protein 0.0097 0.3487 0.3487
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0097 0.3487 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0.3487 0.3487
Loa Loa (eye worm) hypothetical protein 0.0097 0.3487 0.3487
Brugia malayi GnHR receptor homolog 0.0097 0.3487 0.5
Brugia malayi larval opioid receptor 0.0097 0.3487 0.5
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0134 1 1
Schistosoma mansoni 6-phosphofructokinase 0.0134 1 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.3487 0.3487
Loa Loa (eye worm) hypothetical protein 0.0097 0.3487 0.3487
Loa Loa (eye worm) hypothetical protein 0.0097 0.3487 0.3487
Loa Loa (eye worm) hypothetical protein 0.0097 0.3487 0.3487
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0097 0.3487 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0.3487 0.3487
Loa Loa (eye worm) hypothetical protein 0.0097 0.3487 0.3487
Brugia malayi hypothetical protein 0.0097 0.3487 0.5
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0097 0.3487 0.3487
Loa Loa (eye worm) hypothetical protein 0.0097 0.3487 0.3487
Brugia malayi hypothetical protein 0.0097 0.3487 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0.3487 0.3487
Mycobacterium ulcerans fructose-2,6-bisphosphatase GpmB 0.0079 0.0396 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0.3487 0.3487
Loa Loa (eye worm) hypothetical protein 0.0097 0.3487 0.3487
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0097 0.3487 0.3487
Brugia malayi Dopamine receptor protein 2 0.0097 0.3487 0.5
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0097 0.3487 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0.3487 0.3487
Brugia malayi Serotonin receptor 0.0097 0.3487 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0.3487 0.3487
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0097 0.3487 0.3487
Brugia malayi Dopamine receptor 0.0097 0.3487 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0.3487 0.3487
Loa Loa (eye worm) hypothetical protein 0.0132 0.9604 0.9604
Loa Loa (eye worm) hypothetical protein 0.0097 0.3487 0.3487
Loa Loa (eye worm) hypothetical protein 0.0097 0.3487 0.3487
Loa Loa (eye worm) melatonin receptor type 1A 0.0097 0.3487 0.3487
Loa Loa (eye worm) hypothetical protein 0.0097 0.3487 0.3487
Mycobacterium ulcerans hypothetical protein 0.0079 0.0396 0.5
Brugia malayi G protein-coupled receptor F59B2.13 0.0097 0.3487 0.5
Brugia malayi Dopamine receptor protein 1 0.0097 0.3487 0.5
Brugia malayi sulfakinin receptor protein 0.0097 0.3487 0.5
Brugia malayi AKH receptor 0.0097 0.3487 0.5
Loa Loa (eye worm) TYRA-2 protein 0.0097 0.3487 0.3487
Loa Loa (eye worm) hypothetical protein 0.0097 0.3487 0.3487
Loa Loa (eye worm) hypothetical protein 0.0097 0.3487 0.3487
Giardia lamblia Hypothetical protein 0.0079 0.0396 0.5
Brugia malayi hypothetical protein 0.0097 0.3487 0.5
Brugia malayi hypothetical protein 0.0097 0.3487 0.5
Brugia malayi Melatonin receptor type 1A 0.0097 0.3487 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0.3487 0.3487
Loa Loa (eye worm) hypothetical protein 0.0097 0.3487 0.3487
Loa Loa (eye worm) hypothetical protein 0.0097 0.3487 0.3487
Brugia malayi neuropeptide F receptor 0.0097 0.3487 0.5
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0097 0.3487 0.3487
Loa Loa (eye worm) hypothetical protein 0.0097 0.3487 0.3487
Loa Loa (eye worm) hypothetical protein 0.0097 0.3487 0.3487
Brugia malayi hypothetical protein 0.0097 0.3487 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0.3487 0.3487
Loa Loa (eye worm) hypothetical protein 0.0097 0.3487 0.3487
Loa Loa (eye worm) hypothetical protein 0.0097 0.3487 0.3487
Loa Loa (eye worm) hypothetical protein 0.0097 0.3487 0.3487
Brugia malayi G protein-coupled receptor 0.0097 0.3487 0.5
Brugia malayi Serotonin receptor 0.0097 0.3487 0.5
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0097 0.3487 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0.3487 0.3487
Brugia malayi Tachykinin-like peptides receptor 99D 0.0097 0.3487 0.5
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0134 1 1
Brugia malayi ORL1-like opioid receptor 0.0097 0.3487 0.5
Brugia malayi G-protein coupled receptor 0.0097 0.3487 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0.3487 0.3487
Loa Loa (eye worm) hypothetical protein 0.0097 0.3487 0.3487
Brugia malayi hypothetical protein 0.0097 0.3487 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0.3487 0.3487
Loa Loa (eye worm) hypothetical protein 0.0097 0.3487 0.3487
Loa Loa (eye worm) hypothetical protein 0.0097 0.3487 0.3487
Loa Loa (eye worm) hypothetical protein 0.0097 0.3487 0.3487
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0134 1 1
Brugia malayi hypothetical protein 0.0097 0.3487 0.5
Loa Loa (eye worm) neuropeptide F receptor 0.0097 0.3487 0.3487
Loa Loa (eye worm) hypothetical protein 0.0097 0.3487 0.3487
Loa Loa (eye worm) G-protein coupled receptor 0.0097 0.3487 0.3487
Brugia malayi putative neuropeptide receptor NPR1 0.0097 0.3487 0.5
Brugia malayi hypothetical protein 0.0097 0.3487 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 46 uM Inhibitory activity against histamine release from antigen-challenged, sensitized human basophils ChEMBL. 2415706
IC50 (functional) = 46 uM Inhibitory activity against histamine release from antigen-challenged, sensitized human basophils ChEMBL. 2415706

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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