Detailed information for compound 1574007

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 326.433 | Formula: C20H26N2O2
  • H donors: 0 H acceptors: 1 LogP: 4.04 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)c1occ(n1)CN1CCCC2C1CCCC2
  • InChi: 1S/C20H26N2O2/c1-23-18-10-8-16(9-11-18)20-21-17(14-24-20)13-22-12-4-6-15-5-2-3-7-19(15)22/h8-11,14-15,19H,2-7,12-13H2,1H3
  • InChiKey: KQTMYIZCHCXINZ-UHFFFAOYSA-N  

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
Trichomonas vaginalis aldo-keto reductase, putative 0.0062 0.9825 1
Loa Loa (eye worm) oxidoreductase 0.0062 0.9825 0.9825
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0062 0.9825 0.9825
Trichomonas vaginalis aldo-keto reductase, putative 0.0062 0.9825 1
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.1997 1
Trypanosoma brucei aldo-keto reductase, putative 0.0062 0.9825 1
Loa Loa (eye worm) oxidoreductase 0.0062 0.9825 0.9825
Trichomonas vaginalis aldo-keto reductase, putative 0.0062 0.9825 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.1997 0.2032
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0062 0.9825 0.9825
Trichomonas vaginalis aldo/keto reductase, putative 0.0062 0.9825 1
Trypanosoma brucei prostaglandin f synthase 0.0062 0.9825 1
Schistosoma mansoni aldo-keto reductase 0.0062 0.9825 0.9825
Giardia lamblia Aldose reductase 0.0062 0.9825 0.5
Onchocerca volvulus 0.0062 0.9825 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0062 0.9825 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0062 0.9825 0.9825
Loa Loa (eye worm) hypothetical protein 0.0027 0.1997 0.1997
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0062 0.9825 0.9825
Schistosoma mansoni jumonji domain containing protein 0.0063 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0062 0.9825 0.9825
Brugia malayi hypothetical protein 0.0027 0.1997 0.1997
Onchocerca volvulus 0.0062 0.9825 1
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0062 0.9825 1
Echinococcus granulosus lysine specific demethylase 5A 0.0063 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0062 0.9825 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0063 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0062 0.9825 1
Brugia malayi jmjC domain containing protein 0.0063 1 1
Echinococcus multilocularis aldo keto reductase 0.0062 0.9825 0.9825
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0062 0.9825 0.9825
Trichomonas vaginalis aldo/keto reductase, putative 0.0062 0.9825 1
Loa Loa (eye worm) oxidoreductase 0.0062 0.9825 0.9825
Mycobacterium tuberculosis Probable oxidoreductase 0.0062 0.9825 1
Onchocerca volvulus 0.0062 0.9825 1
Echinococcus granulosus aldo keto reductase 0.0062 0.9825 0.9825
Schistosoma mansoni jumonji/arid domain-containing protein 0.0063 1 1
Echinococcus granulosus aldo keto reductase 0.0062 0.9825 0.9825
Entamoeba histolytica aldose reductase, putative 0.0062 0.9825 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0062 0.9825 0.9825
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0062 0.9825 1
Echinococcus multilocularis aldo keto reductase 0.0062 0.9825 0.9825
Loa Loa (eye worm) oxidoreductase 0.0062 0.9825 0.9825
Schistosoma mansoni aldo-keto reductase 0.0062 0.9825 0.9825
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0062 0.9825 0.9825
Trichomonas vaginalis aldo/keto reductase, putative 0.0062 0.9825 1
Leishmania major hypothetical protein, conserved 0.0027 0.1997 0.2032
Trichomonas vaginalis aldo-keto reductase, putative 0.0062 0.9825 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0062 0.9825 0.9825
Echinococcus granulosus aldo keto reductase 0.0062 0.9825 0.9825
Echinococcus multilocularis lysine specific demethylase 5A 0.0063 1 1
Echinococcus multilocularis aldehyde reductase 0.0044 0.5819 0.5819
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0062 0.9825 0.9825
Toxoplasma gondii aldose reductase, putative 0.0062 0.9825 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.1997 0.2032
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0062 0.9825 0.9825
Echinococcus multilocularis aldo keto reductase 0.0062 0.9825 0.9825
Echinococcus granulosus hypothetical protein 0.0062 0.9825 0.9825
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0062 0.9825 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0062 0.9825 0.9825
Entamoeba histolytica aldose reductase, putative 0.0062 0.9825 1
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0062 0.9825 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0062 0.9825 0.9825
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0063 1 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.9825 0.9825
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0062 0.9825 0.9825
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0062 0.9825 0.9825
Echinococcus multilocularis aldo keto reductase 0.0062 0.9825 0.9825
Echinococcus granulosus aldehyde reductase 0.0044 0.5819 0.5819
Loa Loa (eye worm) oxidoreductase 0.0062 0.9825 0.9825
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.1997 0.2032
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0062 0.9825 0.9825
Trichomonas vaginalis aldo-keto reductase, putative 0.0062 0.9825 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0062 0.9825 0.9825
Onchocerca volvulus 0.0062 0.9825 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0062 0.9825 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0062 0.9825 0.9825
Onchocerca volvulus 0.0062 0.9825 1
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.1997 0.2032
Trypanosoma cruzi aldo/keto reductase, putative 0.0062 0.9825 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.1997 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0062 0.9825 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0063 1 1
Giardia lamblia Aldose reductase 0.0062 0.9825 0.5
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0062 0.9825 0.9825
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.1997 1
Entamoeba histolytica aldose reductase, putative 0.0062 0.9825 1
Mycobacterium ulcerans oxidoreductase 0.0062 0.9825 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0063 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0062 0.9825 0.9825
Trichomonas vaginalis aldo-keto reductase, putative 0.0062 0.9825 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0062 0.9825 0.9825
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0062 0.9825 1
Mycobacterium leprae Conserved hypothetical protein 0.0044 0.5819 0.5922
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0062 0.9825 0.9825
Schistosoma mansoni pol-related 0.0062 0.9825 0.9825
Leishmania major aldo-keto reductase-like protein 0.0062 0.9825 1
Onchocerca volvulus 0.0062 0.9825 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0062 0.9825 0.9825
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0062 0.9825 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0062 0.9825 0.9825
Trypanosoma cruzi aldo-keto reductase 0.0062 0.9825 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0062 0.9825 1
Leishmania major prostaglandin f synthase, putative 0.0062 0.9825 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 8 % DNDI: Inhibition of Human African Trypanosomiasis, SBRI 427, in vitro at 2 ug.mL-1 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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