Detailed information for compound 1517505

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 501.615 | Formula: C27H39N3O6
  • H donors: 0 H acceptors: 3 LogP: 3.12 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(=O)OCC1OC(CCON=C(CCN2CCCCc3c2cc(C)c(n3)C)C)C=CC1OC(=O)C
  • InChi: 1S/C27H39N3O6/c1-18-16-25-24(28-20(18)3)8-6-7-13-30(25)14-11-19(2)29-34-15-12-23-9-10-26(35-22(5)32)27(36-23)17-33-21(4)31/h9-10,16,23,26-27H,6-8,11-15,17H2,1-5H3
  • InChiKey: REPGTJHYAOBTFP-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
Loa Loa (eye worm) oxidoreductase 0.0065 1 1
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0019 0.0802 0.0802
Trichomonas vaginalis aldo-keto reductase, putative 0.0065 1 1
Leishmania major prostaglandin f synthase, putative 0.0065 1 1
Schistosoma mansoni pol-related 0.0065 1 1
Toxoplasma gondii exonuclease III APE 0.0023 0.156 0.0823
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.156 0.5
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0065 1 1
Onchocerca volvulus 0.0065 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0065 1 1
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0019 0.0802 0.0802
Trichomonas vaginalis aldo-keto reductase, putative 0.0065 1 1
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0019 0.0802 0.0802
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.156 0.0823
Echinococcus granulosus hypothetical protein 0.0065 1 1
Brugia malayi NADH-dependent xylose reductase 0.0019 0.0802 0.0802
Loa Loa (eye worm) oxidoreductase 0.0065 1 1
Echinococcus granulosus aldo keto reductase 0.0065 1 1
Onchocerca volvulus 0.0065 1 1
Onchocerca volvulus 0.0065 1 1
Leishmania major aldo-keto reductase-like protein 0.0065 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0065 1 1
Trypanosoma brucei aldo/keto reductase, putative 0.0019 0.0802 0.0802
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.156 0.0823
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0065 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0065 1 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.156 0.0823
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0065 1 1
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0065 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0065 1 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.156 0.156
Loa Loa (eye worm) oxidoreductase 0.0065 1 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0065 1 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.156 0.0823
Echinococcus multilocularis aldehyde reductase 0.0046 0.6249 0.5922
Echinococcus granulosus aldehyde reductase 0.0046 0.6249 0.5922
Trichomonas vaginalis aldo-keto reductase, putative 0.0065 1 1
Echinococcus multilocularis aldo keto reductase 0.0065 1 1
Mycobacterium leprae Conserved hypothetical protein 0.0046 0.6249 0.5922
Trichomonas vaginalis aldo/keto reductase, putative 0.0065 1 1
Giardia lamblia Aldose reductase 0.0065 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0065 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0065 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0065 1 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.156 1
Echinococcus multilocularis aldo keto reductase 0.0065 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0065 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0065 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0065 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0065 1 1
Toxoplasma gondii aldose reductase, putative 0.0065 1 1
Trypanosoma brucei aldo-keto reductase, putative 0.0065 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0065 1 1
Giardia lamblia Aldose reductase 0.0065 1 1
Onchocerca volvulus 0.0065 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0065 1 1
Entamoeba histolytica aldose reductase, putative 0.0065 1 1
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0065 1 1
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.156 0.156
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0065 1 1
Entamoeba histolytica aldose reductase, putative 0.0065 1 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0019 0.0802 0.0802
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0065 1 1
Loa Loa (eye worm) oxidoreductase 0.0065 1 1
Schistosoma mansoni ap endonuclease 0.0023 0.156 0.0823
Schistosoma mansoni ap endonuclease 0.0023 0.156 0.0823
Schistosoma mansoni aldo-keto reductase 0.0065 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0065 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0065 1 1
Trypanosoma brucei prostaglandin f synthase 0.0065 1 1
Entamoeba histolytica aldose reductase, putative 0.0065 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0065 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0065 1 1
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.156 0.0823
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0065 1 1
Echinococcus multilocularis aldo keto reductase 0.0065 1 1
Mycobacterium ulcerans oxidoreductase 0.0065 1 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.156 0.156
Trypanosoma cruzi aldo-keto reductase 0.0065 1 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.156 0.156
Onchocerca volvulus 0.0065 1 1
Mycobacterium ulcerans hypothetical protein 0.0019 0.0802 0.0802
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.156 0.156
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0065 1 1
Echinococcus granulosus aldo keto reductase 0.0065 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0065 1 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.156 0.5
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.156 0.156
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0065 1 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.156 0.0823
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0065 1 1
Onchocerca volvulus 0.0065 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0065 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0065 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0065 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0065 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0065 1 1
Loa Loa (eye worm) hypothetical protein 0.0065 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0065 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0065 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0065 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0065 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0065 1 1
Loa Loa (eye worm) oxidoreductase 0.0065 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.156 0.156
Echinococcus granulosus aldo keto reductase 0.0065 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0065 1 1
Schistosoma mansoni aldo-keto reductase 0.0065 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0065 1 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.156 1
Echinococcus multilocularis aldo keto reductase 0.0065 1 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.

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