Detailed information for compound 2068704

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 302.332 | Formula: C14H18N6O2
  • H donors: 1 H acceptors: 5 LogP: 0.15 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ncncc1C(=O)N1CCOC(C1)c1[nH]nc(n1)C
  • InChi: 1S/C14H18N6O2/c1-3-11-10(6-15-8-16-11)14(21)20-4-5-22-12(7-20)13-17-9(2)18-19-13/h6,8,12H,3-5,7H2,1-2H3,(H,17,18,19)
  • InChiKey: BVYORTFFYAJDHP-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 granulosus FTZ F1 alpha 0.0029 0.0835 0.0835
Echinococcus multilocularis GPCR, family 2 0.0018 0.0185 0.0185
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.1485 0.1941
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0029 0.0835 0.0835
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0029 0.0835 0.1091
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0185 0.0242
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0029 0.0835 0.1091
Schistosoma mansoni hypothetical protein 0.0018 0.0185 0.0185
Echinococcus multilocularis thyroid hormone receptor alpha 0.0029 0.0835 0.0835
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 0.6769 0.8847
Loa Loa (eye worm) hypothetical protein 0.0029 0.0835 0.1091
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0029 0.0835 0.0835
Echinococcus multilocularis geminin 0.0177 1 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0185 0.0242
Schistosoma mansoni RAR-like nuclear receptor 0.0029 0.0835 0.0835
Brugia malayi nuclear receptor NHR-88 0.0029 0.0835 0.1091
Schistosoma mansoni nuclear hormone receptor 0.0029 0.0835 0.0835
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0029 0.0835 0.0835
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.01 0.5265 0.5265
Schistosoma mansoni hypothetical protein 0.0018 0.0185 0.0185
Echinococcus granulosus GPCR family 2 0.0018 0.0185 0.0185
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.2606 0.3405
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0029 0.0835 0.0835
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0029 0.0835 0.1091
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0029 0.0835 0.0835
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0029 0.0835 0.1091
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0185 0.0242
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0185 0.0185
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0029 0.0835 0.0835
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0029 0.0835 0.0835
Schistosoma mansoni tar DNA-binding protein 0.0139 0.7652 0.7652
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0185 0.0185
Loa Loa (eye worm) hypothetical protein 0.0057 0.2606 0.3405
Loa Loa (eye worm) steroid hormone receptor 0.0029 0.0835 0.1091
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0029 0.0835 0.1091
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0029 0.0835 0.1091
Schistosoma mansoni thyroid hormone receptor 0.0029 0.0835 0.0835
Schistosoma mansoni coup transcription factor 0.0029 0.0835 0.0835
Loa Loa (eye worm) hypothetical protein 0.0029 0.0835 0.1091
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0029 0.0835 0.0835
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.01 0.5265 0.5265
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0029 0.0835 0.0835
Brugia malayi ecdysteroid receptor 0.0029 0.0835 0.1091
Brugia malayi nuclear hormone receptor 0.0029 0.0835 0.1091
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0029 0.0835 0.1091
Loa Loa (eye worm) hypothetical protein 0.0029 0.0835 0.1091
Brugia malayi Nuclear hormone receptor-like 1 0.0029 0.0835 0.1091
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0029 0.0835 0.1091
Loa Loa (eye worm) RNA binding protein 0.0139 0.7652 1
Schistosoma mansoni tar DNA-binding protein 0.0139 0.7652 0.7652
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0029 0.0835 0.1091
Loa Loa (eye worm) hypothetical protein 0.0039 0.1485 0.1941
Schistosoma mansoni steroid hormone receptor ad4bp 0.0029 0.0835 0.0835
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0185 0.0185
Schistosoma mansoni tar DNA-binding protein 0.0139 0.7652 0.7652
Schistosoma mansoni tar DNA-binding protein 0.0139 0.7652 0.7652
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.01 0.5265 0.5265
Brugia malayi photoreceptor-specific nuclear receptor 0.0029 0.0835 0.1091
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0185 0.0242
Loa Loa (eye worm) hypothetical protein 0.0029 0.0835 0.1091
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0029 0.0835 0.0835
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0029 0.0835 0.1091
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0029 0.0835 0.1091
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0029 0.0835 0.1091
Schistosoma mansoni hypothetical protein 0.0177 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0139 0.7652 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0029 0.0835 0.5
Loa Loa (eye worm) hypothetical protein 0.0029 0.0835 0.1091
Schistosoma mansoni retinoic acid receptor RXR 0.0029 0.0835 0.0835
Brugia malayi steroid hormone receptor 0.0029 0.0835 0.1091
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0029 0.0835 0.0835
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0029 0.0835 0.1091
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.01 0.5265 0.5265
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0029 0.0835 0.1091
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.01 0.5265 0.5265
Onchocerca volvulus Bile acid receptor homolog 0.0029 0.0835 0.5
Brugia malayi MH2 domain containing protein 0.0125 0.6769 0.8847
Brugia malayi RNA recognition motif domain containing protein 0.0139 0.7652 1
Schistosoma mansoni tar DNA-binding protein 0.0139 0.7652 0.7652
Onchocerca volvulus Protein ultraspiracle homolog 0.0029 0.0835 0.5
Schistosoma mansoni hypothetical protein 0.0039 0.1485 0.1485
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0185 0.0185
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0029 0.0835 0.0835
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.2606 0.3405
Schistosoma mansoni hypothetical protein 0.0018 0.0185 0.0185
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0029 0.0835 0.0835
Echinococcus multilocularis FTZ F1 alpha 0.0029 0.0835 0.0835
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0029 0.0835 0.1091
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0029 0.0835 0.1091
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0029 0.0835 0.1091
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0029 0.0835 0.0835
Brugia malayi RNA binding protein 0.0139 0.7652 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0835 0.1091
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0029 0.0835 0.0835
Schistosoma mansoni hypothetical protein 0.0018 0.0185 0.0185
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0029 0.0835 0.0835
Loa Loa (eye worm) hypothetical protein 0.0029 0.0835 0.1091
Schistosoma mansoni thyroid hormone receptor 0.0029 0.0835 0.0835
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.2606 0.3405
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0029 0.0835 0.1091
Loa Loa (eye worm) transcription factor SMAD2 0.0125 0.6769 0.8847
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.01 0.5265 0.5265
Echinococcus granulosus ecdysone induced protein 78C 0.0029 0.0835 0.0835
Brugia malayi Steroid receptor seven-up type 2 0.0029 0.0835 0.1091
Echinococcus multilocularis tar DNA binding protein 0.0139 0.7652 0.7652
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.01 0.5265 0.5265
Echinococcus granulosus tar DNA binding protein 0.0139 0.7652 0.7652
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.01 0.5265 0.6881
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0029 0.0835 0.0835
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.01 0.5265 0.6881
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0029 0.0835 0.0835
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0029 0.0835 0.1091
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0029 0.0835 0.1091
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0029 0.0835 0.0835
Brugia malayi TAR-binding protein 0.0139 0.7652 1
Onchocerca volvulus 0.0029 0.0835 0.5
Loa Loa (eye worm) hypothetical protein 0.0029 0.0835 0.1091
Loa Loa (eye worm) TAR-binding protein 0.0139 0.7652 1
Schistosoma mansoni hypothetical protein 0.0177 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0029 0.0835 0.0835

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

Bibliographic References

No literature references available for this target.

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