Detailed information for compound 1466536

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 269.299 | Formula: C15H15N3O2
  • H donors: 0 H acceptors: 4 LogP: 3.03 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCn1nnc2c1C(=O)c1ccccc1C2=O
  • InChi: 1S/C15H15N3O2/c1-2-3-6-9-18-13-12(16-17-18)14(19)10-7-4-5-8-11(10)15(13)20/h4-5,7-8H,2-3,6,9H2,1H3
  • InChiKey: GMLGRDXWULPVRF-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
Schistosoma mansoni RAR-like nuclear receptor 0.0017 0.0296 0.0523
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0017 0.0296 0.0523
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0228 1 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.2035 0.2035
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.009 0.365 0.6442
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0017 0.0296 0.0296
Schistosoma mansoni thyroid hormone receptor 0.0017 0.0296 0.0523
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0038 0.1225 0.2162
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0017 0.0296 0.0523
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0017 0.0296 0.0296
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0017 0.0296 0.0296
Schistosoma mansoni steroid hormone receptor ad4bp 0.0017 0.0296 0.0523
Echinococcus granulosus Protein patched homolog 1 0.0055 0.2035 0.3592
Echinococcus multilocularis protein patched 0.0055 0.2035 0.3592
Schistosoma mansoni retinoic acid receptor RXR 0.0017 0.0296 0.0523
Echinococcus multilocularis ecdysone induced protein 78C 0.0017 0.0296 0.0523
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0079 0.3144 0.5549
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0017 0.0296 0.0296
Brugia malayi steroid hormone receptor 0.0017 0.0296 0.0296
Loa Loa (eye worm) steroid hormone receptor 0.0017 0.0296 0.0296
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.034 0.034
Schistosoma mansoni ap endonuclease 0.0018 0.034 0.06
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.034 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0017 0.0296 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0017 0.0296 0.0523
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0017 0.0296 0.0523
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0017 0.0296 0.0523
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0055 0.2035 0.3592
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.034 0.06
Brugia malayi nuclear receptor NHR-88 0.0017 0.0296 0.0296
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.0063 0.239 0.6546
Echinococcus multilocularis FTZ F1 alpha 0.0017 0.0296 0.0523
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0017 0.0296 0.0523
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0017 0.0296 0.0523
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0038 0.1225 0.2162
Toxoplasma gondii exonuclease III APE 0.0018 0.034 0.0931
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0017 0.0296 0.0523
Loa Loa (eye worm) hypothetical protein 0.0134 0.5666 0.5666
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.034 0.034
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0038 0.1225 0.2162
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.009 0.365 0.6442
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.034 0.06
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0017 0.0296 0.0296
Loa Loa (eye worm) hypothetical protein 0.0017 0.0296 0.0296
Echinococcus granulosus FTZ F1 alpha 0.0017 0.0296 0.0523
Echinococcus multilocularis ubiquitin specific protease 41 0.0038 0.1225 0.2162
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0017 0.0296 0.0523
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0017 0.0296 0.0523
Schistosoma mansoni thyroid hormone receptor 0.0017 0.0296 0.0523
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0017 0.0296 0.0296
Schistosoma mansoni patched 1 0.0055 0.2035 0.3592
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0017 0.0296 0.0296
Echinococcus multilocularis sterol regulatory element binding protein 0.0055 0.2035 0.3592
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.009 0.365 0.6442
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.0134 0.5666 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0017 0.0296 0.0523
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.009 0.365 1
Brugia malayi CHE-14 protein 0.0055 0.2035 0.2035
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.1225 0.2162
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0017 0.0296 0.0296
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0017 0.0296 0.0523
Echinococcus granulosus Niemann Pick C1 protein 0.0055 0.2035 0.3592
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0017 0.0296 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0017 0.0296 0.0296
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0017 0.0296 0.0296
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.009 0.365 1
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0038 0.1225 0.2162
Loa Loa (eye worm) hypothetical protein 0.0038 0.1225 0.1225
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.034 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.0296 0.0296
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.0134 0.5666 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0296 0.0296
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0063 0.239 1
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0079 0.3144 0.3144
Echinococcus granulosus sterol regulatory element binding protein 0.0055 0.2035 0.3592
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.0134 0.5666 1
Brugia malayi ecdysteroid receptor 0.0017 0.0296 0.0296
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.034 0.06
Echinococcus multilocularis thyroid hormone receptor alpha 0.0017 0.0296 0.0523
Brugia malayi nuclear hormone receptor 0.0017 0.0296 0.0296
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0038 0.1225 0.1225
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0038 0.1225 0.5125
Schistosoma mansoni ap endonuclease 0.0018 0.034 0.06
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0055 0.2035 0.2035
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0017 0.0296 0.0296
Schistosoma mansoni coup transcription factor 0.0017 0.0296 0.0523
Echinococcus multilocularis Niemann Pick C1 protein 0.0055 0.2035 0.3592
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0017 0.0296 0.0296
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0017 0.0296 0.0523
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0017 0.0296 0.0296
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.034 0.1422
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0017 0.0296 0.0296
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0017 0.0296 0.0523
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.034 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0017 0.0296 0.0523
Loa Loa (eye worm) hypothetical protein 0.0017 0.0296 0.0296
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0017 0.0296 0.0296
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0017 0.0296 0.0296
Echinococcus granulosus ecdysone induced protein 78C 0.0017 0.0296 0.0523
Trichomonas vaginalis conserved hypothetical protein 0.0055 0.2035 0.8516
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0017 0.0296 0.0296
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.0134 0.5666 1
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0038 0.1225 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0296 0.0296
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0134 0.5666 1
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.0134 0.5666 1
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.1225 0.2162
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.1225 0.2162
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.034 1
Onchocerca volvulus 0.0017 0.0296 0.5
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.034 0.06
Brugia malayi photoreceptor-specific nuclear receptor 0.0017 0.0296 0.0296
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0038 0.1225 0.2162
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.034 0.1422
Onchocerca volvulus Protein ultraspiracle homolog 0.0017 0.0296 0.5
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.034 1
Echinococcus multilocularis protein dispatched 1 0.0055 0.2035 0.3592
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.034 0.0931
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.034 0.06
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.0134 0.5666 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0017 0.0296 0.0523
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0079 0.3144 0.5549
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0017 0.0296 0.0523
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0017 0.0296 0.0296
Loa Loa (eye worm) hypothetical protein 0.009 0.365 0.365
Loa Loa (eye worm) hypothetical protein 0.0017 0.0296 0.0296
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.1225 0.5125
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0038 0.1225 0.2162
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0017 0.0296 0.0523
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0063 0.239 1
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0063 0.239 1
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.009 0.365 0.6442
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0017 0.0296 0.0296
Loa Loa (eye worm) hypothetical protein 0.0017 0.0296 0.0296
Brugia malayi Nuclear hormone receptor-like 1 0.0017 0.0296 0.0296
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0038 0.1225 0.2162
Brugia malayi Steroid receptor seven-up type 2 0.0017 0.0296 0.0296
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.034 0.06
Loa Loa (eye worm) hypothetical protein 0.0017 0.0296 0.0296
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.009 0.365 0.6442
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0017 0.0296 0.0523
Brugia malayi Hydroxymethylglutaryl-coenzyme A reductase family protein 0.0134 0.5666 0.5666
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0038 0.1225 0.3355
Echinococcus granulosus ubiquitin specific protease 41 0.0038 0.1225 0.2162
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0017 0.0296 0.0296
Schistosoma mansoni nuclear hormone receptor 0.0017 0.0296 0.0523
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0038 0.1225 0.5125
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.0079 0.3144 0.3144
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0134 0.5666 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Antibacterial activity against Escherichia coli ATCC 25922 by agar diffusion assay ChEMBL. 21111625

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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