Detailed information for compound 1529184

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 488.616 | Formula: C27H40N2O6
  • H donors: 2 H acceptors: 4 LogP: 2.56 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=CCON=C1CC(O)C(C2C1CCC1C2C(=O)N(C1=O)CC1CCCO1)O)CCC=C(C)C
  • InChi: 1S/C27H40N2O6/c1-16(2)6-4-7-17(3)11-13-35-28-21-14-22(30)25(31)23-19(21)9-10-20-24(23)27(33)29(26(20)32)15-18-8-5-12-34-18/h6,11,18-20,22-25,30-31H,4-5,7-10,12-15H2,1-3H3
  • InChiKey: WJEJAUNPLGBEGH-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
Mycobacterium ulcerans glucosamine--fructose-6-phosphate aminotransferase 0.003 0.1058 0.0629
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0651 0.3204
Treponema pallidum glucosamine--fructose-6-phosphate aminotransferase 0.003 0.1058 1
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0651 0.0715
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0651 0.2245
Plasmodium falciparum glutamine--fructose-6-phosphate aminotransferase [isomerizing], putative 0.003 0.1058 1
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0069 0.3149 1
Trypanosoma brucei glucosamine-fructose-6-phosphate aminotransferase, putative 0.003 0.1058 1
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.2898 1
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0069 0.3149 1
Plasmodium vivax glutamine--fructose-6-phosphate aminotransferase [isomerizing], putative 0.003 0.1058 1
Schistosoma mansoni ap endonuclease 0.0023 0.0651 0.1929
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.3149 0.2819
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0651 0.3204
Schistosoma mansoni family C44 unassigned peptidase (C44 family) 0.003 0.1058 0.3246
Mycobacterium ulcerans hypothetical protein 0.0197 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0458 0.1582
Trypanosoma cruzi glucosamine-fructose-6-phosphate aminotransferase, putative 0.003 0.1058 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.3149 0.2819
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0651 0.0715
Mycobacterium tuberculosis Conserved hypothetical protein 0.0197 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0651 0.3204
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0651 0.3842
Brugia malayi Glucosamine--fructose-6-phosphate aminotransferase, putative 0.003 0.1058 0.223
Leishmania major glucosamine-fructose-6-phosphate aminotransferase, putative 0.003 0.1058 0.223
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0069 0.3149 1
Trichomonas vaginalis glucosamine-fructose-6-phosphate aminotransferase, putative 0.003 0.1058 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0458 0.1582
Schistosoma mansoni ap endonuclease 0.0023 0.0651 0.1929
Onchocerca volvulus 0.003 0.1058 0.5
Echinococcus granulosus Glutamine:fructose 6 phosphate aminotransferase 0.003 0.1058 0.1632
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.3149 1
Loa Loa (eye worm) glucosamine-fructose-6-phosphate aminotransferase 0.003 0.1058 0.3652
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0069 0.3149 0.3083
Loa Loa (eye worm) CYP4Cod1 0.0019 0.0458 0.1582
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.3149 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0651 0.5
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0651 0.0562
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0651 0.3842
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0651 0.0201
Trichomonas vaginalis glucosamine-fructose-6-phosphate aminotransferase, putative 0.003 0.1058 1
Wolbachia endosymbiont of Brugia malayi glucosamine 6-phosphate synthetase 0.003 0.1058 1
Chlamydia trachomatis glucosamine-fructose-6-phosphate aminotransferase 0.003 0.1058 1
Entamoeba histolytica glucosamine--fructose-6-phosphate aminotransferase, putative 0.003 0.1058 1
Echinococcus multilocularis Glutamine:fructose 6 phosphate aminotransferase 0.003 0.1058 0.1632
Toxoplasma gondii glucosamine-fructose-6-phosphate aminotransferase 0.003 0.1058 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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