Detailed information for compound 651629

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 459.532 | Formula: C25H33NO7
  • H donors: 1 H acceptors: 2 LogP: 2.5 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCOC(=C1C(=NC2=C(C1c1cc(OC)c(c(c1)OC)OC)C(=O)CC(C2)(C)C)C)O
  • InChi: 1S/C25H33NO7/c1-14-20(24(28)33-9-8-29-4)21(22-16(26-14)12-25(2,3)13-17(22)27)15-10-18(30-5)23(32-7)19(11-15)31-6/h10-11,21,28H,8-9,12-13H2,1-7H3
  • InChiKey: BMYIUTFGPMENEN-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
Echinococcus multilocularis aldo keto reductase 0.0163 0.6384 0.6384
Brugia malayi hypothetical protein 0.0107 0.3499 0.3499
Mycobacterium ulcerans hypothetical protein 0.0047 0.0405 0.0634
Trichomonas vaginalis aldo-keto reductase, putative 0.0163 0.6384 1
Trypanosoma cruzi aldo-keto reductase 0.0163 0.6384 1
Echinococcus granulosus aldo keto reductase 0.0163 0.6384 0.6384
Echinococcus multilocularis aldo keto reductase 0.0163 0.6384 0.6384
Plasmodium falciparum aldo-keto reductase, putative 0.0047 0.0405 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0163 0.6384 1
Echinococcus granulosus acetylcholinesterase 0.0233 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0163 0.6384 0.6384
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0163 0.6384 0.6384
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0163 0.6384 0.6384
Trypanosoma cruzi aldo/keto reductase, putative 0.0163 0.6384 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0163 0.6384 1
Echinococcus granulosus acetylcholinesterase 0.0233 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0163 0.6384 0.6384
Onchocerca volvulus 0.0163 0.6384 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0163 0.6384 0.6384
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0107 0.3499 0.3499
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0163 0.6384 0.6384
Mycobacterium leprae Conserved hypothetical protein 0.0116 0.3946 0.5922
Echinococcus granulosus aldehyde reductase 0.0116 0.3946 0.3946
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0047 0.0405 0.0405
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0163 0.6384 0.6384
Mycobacterium tuberculosis Probable oxidoreductase 0.0163 0.6384 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0163 0.6384 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0163 0.6384 0.6384
Trichomonas vaginalis aldo-keto reductase, putative 0.0047 0.0405 0.0634
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0163 0.6384 0.6384
Echinococcus granulosus aldo keto reductase 0.0163 0.6384 0.6384
Trichomonas vaginalis aldo-keto reductase, putative 0.0163 0.6384 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0163 0.6384 1
Echinococcus multilocularis aldehyde reductase 0.0116 0.3946 0.3946
Trypanosoma brucei prostaglandin f synthase 0.0163 0.6384 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0047 0.0405 0.0634
Echinococcus granulosus aldo keto reductase 0.0163 0.6384 0.6384
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0163 0.6384 1
Echinococcus multilocularis acetylcholinesterase 0.0233 1 1
Loa Loa (eye worm) oxidoreductase 0.0163 0.6384 0.6384
Plasmodium falciparum aldehyde reductase, putative 0.0047 0.0405 0.5
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0163 0.6384 0.6384
Trichomonas vaginalis aldo-keto reductase, putative 0.0163 0.6384 1
Echinococcus granulosus hypothetical protein 0.0163 0.6384 0.6384
Onchocerca volvulus 0.0163 0.6384 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0163 0.6384 1
Loa Loa (eye worm) oxidoreductase 0.0163 0.6384 0.6384
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0163 0.6384 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0163 0.6384 0.6384
Giardia lamblia Aldose reductase 0.0163 0.6384 0.5
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0163 0.6384 0.6384
Schistosoma mansoni pol-related 0.0163 0.6384 0.6384
Trichomonas vaginalis aldo-keto reductase, putative 0.0163 0.6384 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0163 0.6384 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0163 0.6384 0.6384
Loa Loa (eye worm) oxidoreductase 0.0163 0.6384 0.6384
Echinococcus multilocularis carboxylesterase 5A 0.0233 1 1
Giardia lamblia Aldose reductase 0.0163 0.6384 0.5
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0163 0.6384 0.6384
Echinococcus multilocularis aldo keto reductase 0.0163 0.6384 0.6384
Entamoeba histolytica hypothetical protein 0.0107 0.3499 0.5175
Plasmodium vivax aldehyde reductase, putative 0.0047 0.0405 0.5
Trichomonas vaginalis aldo/keto reductase, putative 0.0163 0.6384 1
Mycobacterium tuberculosis Conserved protein 0.0047 0.0405 0.0634
Loa Loa (eye worm) oxidoreductase 0.0163 0.6384 0.6384
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0163 0.6384 0.6384
Schistosoma mansoni transcription factor LCR-F1 0.0107 0.3499 0.3499
Trichomonas vaginalis aldo-keto reductase, putative 0.0047 0.0405 0.0634
Onchocerca volvulus 0.0047 0.0405 0.0634
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0163 0.6384 1
Onchocerca volvulus 0.0163 0.6384 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0163 0.6384 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0163 0.6384 1
Entamoeba histolytica hypothetical protein 0.0107 0.3499 0.5175
Schistosoma mansoni potassium channel beta 0.0047 0.0405 0.0405
Loa Loa (eye worm) hypothetical protein 0.0233 1 1
Onchocerca volvulus 0.0163 0.6384 1
Entamoeba histolytica hypothetical protein 0.0107 0.3499 0.5175
Entamoeba histolytica aldose reductase, putative 0.0163 0.6384 1
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0047 0.0405 0.0405
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0163 0.6384 0.6384
Trichomonas vaginalis aldo-keto reductase, putative 0.0163 0.6384 1
Schistosoma mansoni hypothetical protein 0.0107 0.3499 0.3499
Leishmania major aldo-keto reductase-like protein 0.0163 0.6384 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0163 0.6384 0.6384
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0163 0.6384 0.6384
Loa Loa (eye worm) oxidoreductase 0.0163 0.6384 0.6384
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0163 0.6384 0.6384
Schistosoma mansoni aldo-keto reductase 0.0163 0.6384 0.6384
Echinococcus multilocularis acetylcholinesterase 0.0233 1 1
Trypanosoma brucei aldo-keto reductase, putative 0.0163 0.6384 1
Loa Loa (eye worm) carboxylesterase 0.0233 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0163 0.6384 0.6384
Loa Loa (eye worm) acetylcholinesterase 1 0.0233 1 1
Echinococcus granulosus voltage gated potassium channel subunit 0.0047 0.0405 0.0405
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0163 0.6384 0.6384
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0405 0.0634
Loa Loa (eye worm) hypothetical protein 0.0163 0.6384 0.6384
Mycobacterium ulcerans oxidoreductase 0.0163 0.6384 1
Entamoeba histolytica aldose reductase, putative 0.0163 0.6384 1
Brugia malayi Carboxylesterase family protein 0.0233 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0233 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0163 0.6384 1
Echinococcus granulosus carboxylesterase 5A 0.0233 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0163 0.6384 0.6384
Schistosoma mansoni aldo-keto reductase 0.0163 0.6384 0.6384
Toxoplasma gondii aldose reductase, putative 0.0163 0.6384 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0107 0.3499 0.3499
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0047 0.0405 0.5
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0163 0.6384 0.6384
Brugia malayi NADH-dependent xylose reductase 0.0047 0.0405 0.0405
Echinococcus multilocularis aldo keto reductase 0.0163 0.6384 0.6384
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0047 0.0405 0.0634
Loa Loa (eye worm) hypothetical protein 0.0233 1 1
Entamoeba histolytica aldose reductase, putative 0.0163 0.6384 1
Entamoeba histolytica hypothetical protein 0.0107 0.3499 0.5175
Leishmania major prostaglandin f synthase, putative 0.0163 0.6384 1
Onchocerca volvulus 0.0163 0.6384 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0163 0.6384 1
Onchocerca volvulus 0.0163 0.6384 1
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0163 0.6384 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0163 0.6384 1
Echinococcus multilocularis voltage gated potassium channel subunit 0.0047 0.0405 0.0405
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0047 0.0405 0.0405
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0163 0.6384 0.6384

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.

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