Detailed information for compound 1503269

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 327.421 | Formula: C19H25N3O2
  • H donors: 1 H acceptors: 3 LogP: 4.03 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: C/C(=C\COCc1nnn(c1)c1ccc(cc1)O)/CCC=C(C)C
  • InChi: 1S/C19H25N3O2/c1-15(2)5-4-6-16(3)11-12-24-14-17-13-22(21-20-17)18-7-9-19(23)10-8-18/h5,7-11,13,23H,4,6,12,14H2,1-3H3/b16-11+
  • InChiKey: PDEDCEXNFALFMG-LFIBNONCSA-N  

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
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0036 0.0607 0.0607
Schistosoma mansoni RAR-like nuclear receptor 0.0036 0.0607 0.0607
Loa Loa (eye worm) hypothetical protein 0.0207 1 1
Echinococcus granulosus FTZ F1 alpha 0.0036 0.0607 0.0607
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0036 0.0607 0.0607
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0036 0.0607 0.0607
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative 0.0207 1 0.5
Brugia malayi ecdysteroid receptor 0.0036 0.0607 0.0607
Echinococcus multilocularis synaptic glycoprotein sc2 0.0207 1 1
Schistosoma mansoni nuclear hormone receptor 0.0036 0.0607 0.0607
Onchocerca volvulus 0.0207 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0036 0.0607 0.0607
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0207 1 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0036 0.0607 0.0607
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0036 0.0607 0.0607
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0036 0.0607 0.0607
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0036 0.0607 0.0607
Echinococcus multilocularis thyroid hormone receptor alpha 0.0036 0.0607 0.0607
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0036 0.0607 0.0607
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0036 0.0607 0.0607
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0207 1 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0036 0.0607 0.0607
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0036 0.0607 0.0607
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0207 1 0.5
Schistosoma mansoni thyroid hormone receptor 0.0036 0.0607 0.0607
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0207 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.0607 0.0607
Loa Loa (eye worm) hypothetical protein 0.0036 0.0607 0.0607
Brugia malayi nuclear hormone receptor 0.0036 0.0607 0.0607
Plasmodium falciparum polyprenol reductase, putative 0.0207 1 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0036 0.0607 0.0607
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0036 0.0607 0.0607
Echinococcus multilocularis 3 oxo 5 alpha steroid 4 dehydrogenase, C terminal 0.0207 1 1
Echinococcus granulosus synaptic glycoprotein sc2 0.0207 1 1
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0207 1 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0036 0.0607 0.0607
Schistosoma mansoni thyroid hormone receptor 0.0036 0.0607 0.0607
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0207 1 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0036 0.0607 0.0607
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0036 0.0607 0.0607
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0207 1 0.5
Entamoeba histolytica hypothetical protein 0.0207 1 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0036 0.0607 0.0607
Loa Loa (eye worm) steroid hormone receptor 0.0036 0.0607 0.0607
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0207 1 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0036 0.0607 0.0607
Echinococcus multilocularis FTZ F1 alpha 0.0036 0.0607 0.0607
Loa Loa (eye worm) hypothetical protein 0.0036 0.0607 0.0607
Echinococcus granulosus ecdysone induced protein 78C 0.0036 0.0607 0.0607
Loa Loa (eye worm) hypothetical protein 0.0036 0.0607 0.0607
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0036 0.0607 0.0607
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0207 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0036 0.0607 0.0607
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0207 1 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0036 0.0607 0.0607
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0036 0.0607 0.0607
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0036 0.0607 0.0607
Brugia malayi steroid hormone receptor 0.0036 0.0607 0.0607
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0036 0.0607 0.0607
Echinococcus multilocularis ecdysone induced protein 78C 0.0036 0.0607 0.0607
Entamoeba histolytica trans-2,3-enoyl-CoA reductase, putative 0.0207 1 0.5
Plasmodium vivax 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0207 1 0.5
Schistosoma mansoni coup transcription factor 0.0036 0.0607 0.0607
Mycobacterium ulcerans hypothetical protein 0.0207 1 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0036 0.0607 0.0607
Loa Loa (eye worm) hypothetical protein 0.0036 0.0607 0.0607
Echinococcus granulosus 3 oxo 5 alpha steroid 4 dehydrogenase C terminal 0.0207 1 1
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0207 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0036 0.0607 0.0607
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0036 0.0607 0.0607
Entamoeba histolytica steroid 5-alpha reductase, putative 0.0207 1 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0036 0.0607 0.0607
Entamoeba histolytica 3-oxo-5-alpha-steroid 4-dehydrogenase domain-containing protein 0.0207 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0036 0.0607 0.0607
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0036 0.0607 0.0607
Onchocerca volvulus 0.0036 0.0607 0.0607
Loa Loa (eye worm) hypothetical protein 0.0036 0.0607 0.0607
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0036 0.0607 0.0607
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0036 0.0607 0.0607
Loa Loa (eye worm) hypothetical protein 0.0036 0.0607 0.0607
Brugia malayi nuclear receptor NHR-88 0.0036 0.0607 0.0607
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0207 1 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.0036 0.0607 0.0607
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0207 1 0.5
Brugia malayi 3-oxo-5-alpha-steroid 4-dehydrogenase 1 0.0207 1 1
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0207 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0036 0.0607 0.0607
Brugia malayi Steroid receptor seven-up type 2 0.0036 0.0607 0.0607
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0036 0.0607 0.0607
Onchocerca volvulus Protein ultraspiracle homolog 0.0036 0.0607 0.0607
Leishmania major 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein 0.0207 1 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0036 0.0607 0.0607
Loa Loa (eye worm) hypothetical protein 0.0207 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0036 0.0607 0.0607
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0036 0.0607 0.0607
Plasmodium falciparum 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0207 1 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0036 0.0607 0.0607
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0036 0.0607 0.0607
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0207 1 0.5
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0207 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.0607 0.0607
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0036 0.0607 0.0607
Giardia lamblia Synaptic glycoprotein SC2 0.0207 1 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0207 1 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0207 1 0.5
Plasmodium vivax polyprenol reductase, putative 0.0207 1 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0036 0.0607 0.0607
Loa Loa (eye worm) hypothetical protein 0.0207 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0036 0.0607 0.0607
Brugia malayi Nuclear hormone receptor-like 1 0.0036 0.0607 0.0607

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.