Detailed information for compound 2071340

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 279.335 | Formula: C14H21N3O3
  • H donors: 1 H acceptors: 2 LogP: 1.14 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1noc(c1)C)CN(C1CC1)CC1COCC1
  • InChi: 1S/C14H21N3O3/c1-10-6-13(16-20-10)15-14(18)8-17(12-2-3-12)7-11-4-5-19-9-11/h6,11-12H,2-5,7-9H2,1H3,(H,15,16,18)
  • InChiKey: ARQCXIWZMCBWEW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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 nuclear hormone receptor 0.0031 0.0735 0.0735
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0065 0.3606 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0065 0.3606 1
Entamoeba histolytica hypothetical protein 0.0022 0 0.5
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0034 0.1043 0.1043
Loa Loa (eye worm) hypothetical protein 0.0065 0.3606 1
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0077 0.4567 0.4567
Schistosoma mansoni nuclear hormone receptor 0.0065 0.3606 0.3606
Loa Loa (eye worm) hypothetical protein 0.0065 0.3606 1
Brugia malayi hypothetical protein 0.0031 0.0735 0.204
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0065 0.3606 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0065 0.3606 0.3606
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0065 0.3606 0.3606
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0065 0.3606 0.4186
Brugia malayi nuclear hormone receptor 0.0031 0.0735 0.204
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0034 0.1043 0.1043
Brugia malayi nuclear hormone receptor 0.0065 0.3606 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.1043 0.1071
Schistosoma mansoni nuclear receptor 0.0031 0.0735 0.0735
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0065 0.3606 0.3606
Brugia malayi Nuclear hormone receptor E75 0.0031 0.0735 0.204
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0065 0.3606 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0031 0.0735 0.0854
Loa Loa (eye worm) hypothetical protein 0.0065 0.3606 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0031 0.0735 0.0735
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0065 0.3606 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0031 0.0735 0.0854
Brugia malayi Nuclear hormone receptor-like 1 0.0034 0.1043 0.2892
Brugia malayi hypothetical protein 0.0034 0.1043 0.2892
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0077 0.4567 0.5302
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0065 0.3606 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0065 0.3606 0.4186
Brugia malayi nuclear receptor RXR 0.0031 0.0735 0.204
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0065 0.3606 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0031 0.0735 0.0735
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0065 0.3606 1
Onchocerca volvulus Bile acid receptor homolog 0.0065 0.3606 1
Schistosoma mansoni zinc finger protein 0.0031 0.0735 0.0735
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0065 0.3606 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.1043 0.1071
Brugia malayi Nuclear hormone receptor E75 0.0031 0.0735 0.204
Brugia malayi orphan nuclear receptor NR2E1 0.0031 0.0735 0.204
Echinococcus multilocularis ecdysone induced protein 78C 0.0065 0.3606 0.3606
Brugia malayi hypothetical protein 0.0034 0.1043 0.2892
Brugia malayi nuclear receptor NHR-67 0.0031 0.0735 0.204
Loa Loa (eye worm) hypothetical protein 0.0034 0.1043 0.1071
Loa Loa (eye worm) hypothetical protein 0.0065 0.3606 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0065 0.3606 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0065 0.3606 1
Brugia malayi ecdysteroid receptor 0.0065 0.3606 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0065 0.3606 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0065 0.3606 1
Brugia malayi Nuclear hormone receptor-like 1 0.0065 0.3606 1
Schistosoma mansoni RAR-like nuclear receptor 0.0065 0.3606 0.3606
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0065 0.3606 1
Schistosoma mansoni nuclear hormone receptor 0.0031 0.0735 0.0735
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0031 0.0735 0.0854
Schistosoma mansoni coup transcription factor 0.0065 0.3606 0.3606
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0065 0.3606 0.3606
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0065 0.3606 0.3606
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0065 0.3606 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0065 0.3606 0.3606
Schistosoma mansoni hypothetical protein 0.0077 0.4567 0.4567
Schistosoma mansoni steroid hormone receptor ad4bp 0.0065 0.3606 0.3606
Schistosoma mansoni hypothetical protein 0.0062 0.3384 0.3384
Schistosoma mansoni retinoic acid receptor RXR 0.0125 0.8613 0.8613
Schistosoma mansoni nuclear receptor 0.0031 0.0735 0.0735
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0065 0.3606 0.4186
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0031 0.0735 0.0735
Brugia malayi Nuclear hormone receptor-like 1 0.0034 0.1043 0.2892
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0065 0.3606 0.3606
Brugia malayi nuclear hormone receptor family member odr-7 0.0031 0.0735 0.204
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0034 0.1043 0.1043
Brugia malayi steroid hormone receptor 0.0065 0.3606 1
Schistosoma mansoni thyroid hormone receptor 0.0142 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0065 0.3606 0.3606
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0065 0.3606 0.4186
Loa Loa (eye worm) steroid hormone receptor 0.0065 0.3606 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0031 0.0735 0.0735
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0065 0.3606 1
Brugia malayi nuclear receptor NHR-88 0.0065 0.3606 1
Brugia malayi nuclear receptor NHR-88 0.0031 0.0735 0.204
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0065 0.3606 0.3606
Entamoeba histolytica hypothetical protein 0.0022 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0065 0.3606 1
Entamoeba histolytica hypothetical protein 0.0022 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0034 0.1043 0.1071
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0065 0.3606 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0034 0.1043 0.1211
Loa Loa (eye worm) hypothetical protein 0.0065 0.3606 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.3606 1
Echinococcus granulosus ecdysone induced protein 78C 0.0065 0.3606 0.4186
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0065 0.3606 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0031 0.0735 0.0854
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0125 0.8613 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0031 0.0735 0.0735
Entamoeba histolytica hypothetical protein 0.0022 0 0.5
Schistosoma mansoni thyroid hormone receptor 0.0142 1 1
Brugia malayi tailless protein 0.0031 0.0735 0.204
Brugia malayi ecdysone receptor 0.0031 0.0735 0.204
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.0735 0.0735
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0065 0.3606 0.3606
Brugia malayi nuclear receptor RXR 0.0034 0.1043 0.2892
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0065 0.3606 1
Onchocerca volvulus 0.0065 0.3606 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0031 0.0735 0.0854
Echinococcus granulosus nuclear receptor nhr 48 0.0031 0.0735 0.0854
Loa Loa (eye worm) hypothetical protein 0.0065 0.3606 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.1043 0.1071
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0065 0.3606 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0065 0.3606 0.4186
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0031 0.0735 0.204
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0091 0.5743 0.5743
Echinococcus granulosus FTZ F1 alpha 0.0065 0.3606 0.4186
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0065 0.3606 0.3606
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0065 0.3606 0.4186
Schistosoma mansoni nuclear receptor nhr-48 0.0031 0.0735 0.0735
Loa Loa (eye worm) hypothetical protein 0.0065 0.3606 1
Brugia malayi Steroid receptor seven-up type 2 0.0065 0.3606 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0065 0.3606 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0031 0.0735 0.204
Brugia malayi hypothetical protein 0.0031 0.0735 0.204
Echinococcus multilocularis FTZ F1 alpha 0.0065 0.3606 0.3606
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0034 0.1043 0.1071
Brugia malayi conserved hypotetical protein 0.0031 0.0735 0.204
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0031 0.0735 0.0735
Echinococcus granulosus nuclear factor of activated T cells 5 0.0045 0.1913 0.2221
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0065 0.3606 0.3606
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0045 0.1913 0.1913
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0065 0.3606 1

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.