Detailed information for compound 1759392

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 372.465 | Formula: C19H28N6O2
  • H donors: 1 H acceptors: 4 LogP: 1.38 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@@H]1CN(C[C@@H](O1)n1cnc2c1ncnc2N1CCCC1)C1CCCC1
  • InChi: 1S/C19H28N6O2/c26-11-15-9-24(14-5-1-2-6-14)10-16(27-15)25-13-22-17-18(20-12-21-19(17)25)23-7-3-4-8-23/h12-16,26H,1-11H2/t15-,16+/m0/s1
  • InChiKey: NAZXWIYGGOVEBK-JKSUJKDBSA-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
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0212 1 1
Brugia malayi Nuclear hormone receptor E75 0.01 0.3516 0.3516
Loa Loa (eye worm) hypothetical protein 0.0212 1 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0112 0.4211 0.1071
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0212 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0212 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0212 1 1
Loa Loa (eye worm) hypothetical protein 0.01 0.3516 0.3516
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0212 1 1
Brugia malayi hypothetical protein 0.01 0.3516 0.3516
Brugia malayi nuclear receptor RXR 0.01 0.3516 0.3516
Echinococcus granulosus FTZ F1 alpha 0.0212 1 1
Trypanosoma brucei cytochrome P450, putative 0.0039 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0212 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0112 0.4211 0.4211
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0212 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0212 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.0212 1 1
Brugia malayi ecdysone receptor 0.01 0.3516 0.3516
Brugia malayi steroid hormone receptor 0.0212 1 1
Loa Loa (eye worm) hypothetical protein 0.0112 0.4211 0.4211
Loa Loa (eye worm) hypothetical protein 0.0212 1 1
Brugia malayi nuclear hormone receptor family member odr-7 0.01 0.3516 0.3516
Loa Loa (eye worm) nuclear receptor nhr-7B 0.01 0.3516 0.3516
Loa Loa (eye worm) hypothetical protein 0.01 0.3516 0.3516
Schistosoma mansoni coup transcription factor 0.0212 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0212 1 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0112 0.4211 0.1071
Echinococcus multilocularis thyroid hormone receptor alpha 0.0212 1 1
Schistosoma mansoni nuclear hormone receptor 0.0212 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0212 1 1
Loa Loa (eye worm) hypothetical protein 0.0212 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0212 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0212 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0212 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0212 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0212 1 1
Brugia malayi nuclear hormone receptor 0.0212 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0212 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0212 1 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.01 0.3516 0.3516
Schistosoma mansoni thyroid hormone receptor 0.0212 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0212 1 1
Brugia malayi orphan nuclear receptor NR2E1 0.01 0.3516 0.3516
Brugia malayi conserved hypotetical protein 0.01 0.3516 0.3516
Loa Loa (eye worm) hypothetical protein 0.0212 1 1
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.01 0.3516 0.3516
Brugia malayi hypothetical protein 0.0112 0.4211 0.4211
Loa Loa (eye worm) hypothetical protein 0.0212 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0212 1 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0112 0.4211 0.4211
Loa Loa (eye worm) hypothetical protein 0.01 0.3516 0.3516
Brugia malayi nuclear receptor RXR 0.0112 0.4211 0.4211
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0212 1 1
Loa Loa (eye worm) hypothetical protein 0.0112 0.4211 0.4211
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0212 1 1
Loa Loa (eye worm) hypothetical protein 0.0112 0.4211 0.4211
Brugia malayi Nuclear hormone receptor-like 1 0.0112 0.4211 0.4211
Brugia malayi Steroid receptor seven-up type 2 0.0212 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0212 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0212 1 1
Loa Loa (eye worm) hypothetical protein 0.0112 0.4211 0.4211
Brugia malayi hypothetical protein 0.01 0.3516 0.3516
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0212 1 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.01 0.3516 0.3516
Loa Loa (eye worm) hypothetical protein 0.0212 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0212 1 1
Brugia malayi nuclear receptor NHR-88 0.01 0.3516 0.3516
Loa Loa (eye worm) hypothetical protein 0.0112 0.4211 0.4211
Schistosoma mansoni thyroid hormone receptor 0.0212 1 1
Loa Loa (eye worm) hypothetical protein 0.01 0.3516 0.3516
Brugia malayi nuclear receptor NHR-88 0.0212 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0212 1 1
Echinococcus multilocularis FTZ F1 alpha 0.0212 1 1
Loa Loa (eye worm) steroid hormone receptor 0.0212 1 1
Loa Loa (eye worm) hypothetical protein 0.01 0.3516 0.3516
Brugia malayi tailless protein 0.01 0.3516 0.3516
Leishmania major cytochrome p450-like protein 0.0039 0 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0212 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0212 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0112 0.4211 0.1071
Loa Loa (eye worm) hypothetical protein 0.0212 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0212 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0212 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0212 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0212 1 1
Brugia malayi Nuclear hormone receptor E75 0.01 0.3516 0.3516
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0212 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0212 1 1
Loa Loa (eye worm) nuclear hormone receptor 0.01 0.3516 0.3516
Brugia malayi hypothetical protein 0.0112 0.4211 0.4211
Onchocerca volvulus 0.0212 1 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0112 0.4211 0.1071
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0212 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0212 1 1
Brugia malayi nuclear receptor NHR-67 0.01 0.3516 0.3516
Loa Loa (eye worm) hypothetical protein 0.01 0.3516 0.3516
Echinococcus granulosus ecdysone induced protein 78C 0.0212 1 1
Loa Loa (eye worm) DR-78 0.01 0.3516 0.3516
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0212 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0212 1 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0039 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0212 1 1
Loa Loa (eye worm) hypothetical protein 0.01 0.3516 0.3516
Loa Loa (eye worm) hypothetical protein 0.01 0.3516 0.3516
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0212 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0212 1 1
Loa Loa (eye worm) hypothetical protein 0.01 0.3516 0.3516
Loa Loa (eye worm) hypothetical protein 0.0212 1 1
Loa Loa (eye worm) hypothetical protein 0.01 0.3516 0.3516
Loa Loa (eye worm) hypothetical protein 0.01 0.3516 0.3516
Schistosoma mansoni retinoic acid receptor RXR 0.0212 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0212 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0212 1 1
Trypanosoma cruzi cytochrome P450, putative 0.0039 0 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0212 1 1
Loa Loa (eye worm) hypothetical protein 0.01 0.3516 0.3516
Loa Loa (eye worm) hypothetical protein 0.01 0.3516 0.3516
Onchocerca volvulus Bile acid receptor homolog 0.0212 1 1
Brugia malayi nuclear hormone receptor 0.01 0.3516 0.3516
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0212 1 1
Trypanosoma cruzi cytochrome P450, putative 0.0039 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 29.0929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference

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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