Detailed information for compound 450068

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 227.219 | Formula: C12H9N3O2
  • H donors: 1 H acceptors: 3 LogP: 1.77 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ncc2c(c1)c1cccnc1[nH]2
  • InChi: 1S/C12H9N3O2/c1-17-12(16)9-5-8-7-3-2-4-13-11(7)15-10(8)6-14-9/h2-6H,1H3,(H,13,15)
  • InChiKey: RJJKDBIFWODZKT-UHFFFAOYSA-N  


Substructure search Similarity search

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
Echinococcus multilocularis nuclear receptor nhr 48 0.0105 0.2887 0.3755
Brugia malayi Pre-SET motif family protein 0.023 0.7997 0.7997
Schistosoma mansoni thyroid hormone receptor 0.0223 0.7688 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0105 0.2887 0.3755
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0223 0.7688 1
Loa Loa (eye worm) hypothetical protein 0.0105 0.2887 0.2887
Echinococcus granulosus thyroid hormone receptor alpha 0.0105 0.2887 0.3755
Brugia malayi hypothetical protein 0.0105 0.2887 0.2887
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0223 0.7688 1
Loa Loa (eye worm) hypothetical protein 0.0105 0.2887 0.2887
Schistosoma mansoni hypothetical protein 0.0187 0.6251 0.8131
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0223 0.7688 0.7688
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0223 0.7688 0.7688
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0223 0.7688 0.7688
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0223 0.7688 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0223 0.7688 0.7688
Loa Loa (eye worm) hypothetical protein 0.0105 0.2887 0.2887
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0118 0.3401 0.4424
Schistosoma mansoni nuclear receptor nhr-48 0.0105 0.2887 0.3755
Loa Loa (eye worm) DR-78 0.0105 0.2887 0.2887
Echinococcus granulosus geminin 0.0187 0.6251 0.8131
Brugia malayi Nuclear hormone receptor-like 1 0.0118 0.3401 0.3401
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0223 0.7688 1
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0138 0.0138
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0105 0.2887 0.3755
Loa Loa (eye worm) hypothetical protein 0.0105 0.2887 0.2887
Echinococcus multilocularis ecdysone induced protein 78C 0.0223 0.7688 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0223 0.7688 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0105 0.2887 0.3755
Loa Loa (eye worm) hypothetical protein 0.0105 0.2887 0.2887
Loa Loa (eye worm) hypothetical protein 0.0105 0.2887 0.2887
Brugia malayi nuclear receptor NHR-88 0.0223 0.7688 0.7688
Brugia malayi Nuclear hormone receptor-like 1 0.0223 0.7688 0.7688
Brugia malayi Nuclear hormone receptor E75 0.0105 0.2887 0.2887
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0223 0.7688 0.7688
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0223 0.7688 0.7688
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0105 0.2887 0.3755
Loa Loa (eye worm) hypothetical protein 0.0223 0.7688 0.7688
Brugia malayi tailless protein 0.0105 0.2887 0.2887
Loa Loa (eye worm) hypothetical protein 0.0223 0.7688 0.7688
Brugia malayi Nuclear hormone receptor E75 0.0105 0.2887 0.2887
Brugia malayi hypothetical protein 0.0118 0.3401 0.3401
Onchocerca volvulus 0.0105 0.2887 0.2887
Brugia malayi hypothetical protein 0.0118 0.3401 0.3401
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0223 0.7688 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0223 0.7688 1
Loa Loa (eye worm) hypothetical protein 0.0118 0.3401 0.3401
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0118 0.3401 0.4424
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0223 0.7688 0.7688
Echinococcus multilocularis geminin 0.0187 0.6251 0.8131
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0223 0.7688 0.7688
Echinococcus granulosus nuclear receptor nhr 48 0.0105 0.2887 0.3755
Brugia malayi hypothetical protein 0.0105 0.2887 0.2887
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0223 0.7688 0.7688
Brugia malayi nuclear hormone receptor 0.0223 0.7688 0.7688
Loa Loa (eye worm) hypothetical protein 0.0105 0.2887 0.2887
Brugia malayi nuclear hormone receptor family member odr-7 0.0105 0.2887 0.2887
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0105 0.2887 0.3755
Schistosoma mansoni nuclear receptor 0.0105 0.2887 0.3755
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0105 0.2887 0.3755
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0223 0.7688 1
Brugia malayi orphan nuclear receptor NR2E1 0.0105 0.2887 0.2887
Brugia malayi nuclear receptor RXR 0.0105 0.2887 0.2887
Loa Loa (eye worm) nuclear hormone receptor 0.0105 0.2887 0.2887
Echinococcus granulosus FTZ F1 alpha 0.0223 0.7688 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0105 0.2887 0.2887
Schistosoma mansoni nuclear receptor 0.0105 0.2887 0.3755
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0223 0.7688 0.7688
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0223 0.7688 0.7688
Schistosoma mansoni nuclear hormone receptor 0.0105 0.2887 0.3755
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0118 0.3401 0.3401
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0223 0.7688 0.7688
Loa Loa (eye worm) hypothetical protein 0.0118 0.3401 0.3401
Brugia malayi nuclear hormone receptor 0.0105 0.2887 0.2887
Schistosoma mansoni nuclear hormone receptor 0.0105 0.2887 0.3755
Schistosoma mansoni retinoic acid receptor RXR 0.0223 0.7688 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0223 0.7688 1
Brugia malayi Nuclear hormone receptor-like 1 0.0118 0.3401 0.3401
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0223 0.7688 1
Echinococcus multilocularis FTZ F1 alpha 0.0223 0.7688 1
Schistosoma mansoni hypothetical protein 0.0038 0.0138 0.018
Brugia malayi nuclear receptor RXR 0.0118 0.3401 0.3401
Brugia malayi nuclear receptor NHR-67 0.0105 0.2887 0.2887
Brugia malayi nuclear hormone receptor family member nhr-6 0.0105 0.2887 0.2887
Loa Loa (eye worm) hypothetical protein 0.0055 0.0851 0.0851
Loa Loa (eye worm) hypothetical protein 0.0118 0.3401 0.3401
Loa Loa (eye worm) hypothetical protein 0.0223 0.7688 0.7688
Loa Loa (eye worm) hypothetical protein 0.0223 0.7688 0.7688
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0223 0.7688 1
Schistosoma mansoni zinc finger protein 0.0105 0.2887 0.3755
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0223 0.7688 0.7688
Loa Loa (eye worm) hypothetical protein 0.0223 0.7688 0.7688
Loa Loa (eye worm) nuclear receptor NHR-67 0.0105 0.2887 0.2887
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0223 0.7688 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0118 0.3401 0.4424
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0223 0.7688 0.7688
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0223 0.7688 0.7688
Trichomonas vaginalis set domain proteins, putative 0.0262 0.9296 0.5
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0105 0.2887 0.2887
Brugia malayi photoreceptor-specific nuclear receptor 0.0223 0.7688 0.7688
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0223 0.7688 0.7688
Loa Loa (eye worm) hypothetical protein 0.0118 0.3401 0.3401
Loa Loa (eye worm) hypothetical protein 0.0038 0.0138 0.0138
Onchocerca volvulus Protein ultraspiracle homolog 0.0223 0.7688 0.7688
Brugia malayi Steroid receptor seven-up type 2 0.0223 0.7688 0.7688
Loa Loa (eye worm) hypothetical protein 0.0279 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0223 0.7688 1
Loa Loa (eye worm) hypothetical protein 0.0118 0.3401 0.3401
Schistosoma mansoni thyroid hormone receptor 0.0223 0.7688 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0223 0.7688 0.7688
Loa Loa (eye worm) hypothetical protein 0.0279 1 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.023 0.7997 0.7997
Onchocerca volvulus Phospholipase A2 homolog 0.0279 1 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0105 0.2887 0.2887
Loa Loa (eye worm) hypothetical protein 0.0105 0.2887 0.2887
Schistosoma mansoni nuclear hormone receptor 0.0223 0.7688 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0105 0.2887 0.3755
Echinococcus granulosus Nuclear hormone receptor HR96 0.0105 0.2887 0.3755
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0105 0.2887 0.2887
Loa Loa (eye worm) hypothetical protein 0.0223 0.7688 0.7688
Brugia malayi conserved hypotetical protein 0.0105 0.2887 0.2887
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.0851 0.0851
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0223 0.7688 1
Brugia malayi steroid hormone receptor 0.0223 0.7688 0.7688
Loa Loa (eye worm) hypothetical protein 0.0105 0.2887 0.2887
Brugia malayi ecdysone receptor 0.0105 0.2887 0.2887
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0105 0.2887 0.3755
Loa Loa (eye worm) steroid hormone receptor 0.0223 0.7688 0.7688
Brugia malayi nuclear receptor NHR-88 0.0105 0.2887 0.2887
Schistosoma mansoni hypothetical protein 0.0187 0.6251 0.8131
Onchocerca volvulus 0.0105 0.2887 0.2887
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0223 0.7688 1
Loa Loa (eye worm) hypothetical protein 0.0223 0.7688 0.7688
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0223 0.7688 0.7688
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0118 0.3401 0.4424
Echinococcus multilocularis thyroid hormone receptor alpha 0.0223 0.7688 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0223 0.7688 0.7688
Schistosoma mansoni RAR-like nuclear receptor 0.0223 0.7688 1
Loa Loa (eye worm) hypothetical protein 0.0105 0.2887 0.2887
Schistosoma mansoni steroid hormone receptor ad4bp 0.0223 0.7688 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0223 0.7688 1
Onchocerca volvulus 0.0223 0.7688 0.7688
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.0851 0.0851
Onchocerca volvulus Phospholipase A2 homolog 0.0279 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0223 0.7688 0.7688
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0105 0.2887 0.3755
Schistosoma mansoni coup transcription factor 0.0223 0.7688 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0223 0.7688 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0223 0.7688 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0223 0.7688 1
Loa Loa (eye worm) hypothetical protein 0.0223 0.7688 0.7688
Onchocerca volvulus 0.0262 0.9296 0.9296
Loa Loa (eye worm) hypothetical protein 0.0105 0.2887 0.2887
Loa Loa (eye worm) hypothetical protein 0.0105 0.2887 0.2887
Loa Loa (eye worm) hypothetical protein 0.0105 0.2887 0.2887
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.0851 0.0851
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0223 0.7688 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0105 0.2887 0.3755
Onchocerca volvulus Bile acid receptor homolog 0.0223 0.7688 0.7688
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0223 0.7688 0.7688
Brugia malayi ecdysteroid receptor 0.0223 0.7688 0.7688

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 11 pg/microg/hr Effect on glucose-dependent insulin secretion activity per ug of total protein in rat RIN5F cells at 0.1 uM after 30 mins ChEMBL. 17583514
Activity (functional) = 11.9 pg/microg/hr Effect on glucose-dependent insulin secretion activity per ug of total protein in rat RIN5F cells at 1 uM after 30 mins ChEMBL. 17583514
Activity (functional) = 12 pg/microg/hr Effect on glucose-dependent insulin secretion activity per ug of total protein in rat RIN5F cells at 10 uM after 30 mins ChEMBL. 17583514

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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