Detailed information for compound 1462723

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 717.931 | Formula: C36H67N3O11
  • H donors: 6 H acceptors: 7 LogP: 1.8 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 3
  • SMILES: CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](NC(=O)[C@@H]([C@@H]([C@@]1(C)O)O)C)C)(C)OCC(CNCC(C)C)O
  • InChi: 1S/C36H67N3O11/c1-13-27-36(10,46)30(43)24(8)32(44)38-20(4)15-35(9,47-18-25(40)17-37-16-19(2)3)31(22(6)28(41)23(7)33(45)49-27)50-34-29(42)26(39(11)12)14-21(5)48-34/h19-27,29-31,34,37,40,42-43,46H,13-18H2,1-12H3,(H,38,44)/t20-,21-,22+,23-,24-,25?,26+,27-,29-,30+,31-,34+,35-,36+/m1/s1
  • InChiKey: CZGCZBTWQKUQNQ-RNTBWCPISA-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
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0667 0.564 1
Giardia lamblia Aldose reductase 0.0358 0.2392 0.5
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0358 0.2392 0.2392
Trichomonas vaginalis conserved hypothetical protein 0.0667 0.564 1
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.013 0 0.5
Leishmania major monoglyceride lipase, putative 0.0667 0.564 1
Echinococcus multilocularis aldehyde reductase 0.0254 0.1302 0.1302
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.013 0 0.5
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0358 0.2392 0.2392
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0358 0.2392 0.2392
Mycobacterium ulcerans lysophospholipase 0.0667 0.564 1
Plasmodium falciparum lysophospholipase, putative 0.0667 0.564 1
Mycobacterium ulcerans oxidoreductase 0.0358 0.2392 0.4241
Echinococcus granulosus aldehyde reductase 0.0254 0.1302 0.1302
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0667 0.564 1
Loa Loa (eye worm) hypothetical protein 0.0358 0.2392 0.2392
Trypanosoma brucei prostaglandin f synthase 0.0358 0.2392 0.4241
Loa Loa (eye worm) oxidoreductase 0.0358 0.2392 0.2392
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0667 0.564 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0358 0.2392 0.2392
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0358 0.2392 0.2392
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0358 0.2392 0.2392
Schistosoma mansoni pol-related 0.0358 0.2392 0.2392
Echinococcus granulosus aldo keto reductase 0.0358 0.2392 0.2392
Mycobacterium tuberculosis Probable oxidoreductase 0.0358 0.2392 0.4241
Trypanosoma cruzi aldo-keto reductase 0.0358 0.2392 0.4241
Trypanosoma brucei aldo-keto reductase, putative 0.0358 0.2392 0.4241
Echinococcus granulosus fatty acid amide hydrolase 1 0.1082 1 1
Loa Loa (eye worm) oxidoreductase 0.0358 0.2392 0.2392
Trichomonas vaginalis conserved hypothetical protein 0.0667 0.564 1
Schistosoma mansoni aldo-keto reductase 0.0358 0.2392 0.2392
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0358 0.2392 0.2392
Onchocerca volvulus 0.0358 0.2392 0.5
Echinococcus multilocularis fatty acid amide hydrolase 1 0.1082 1 1
Echinococcus multilocularis aldo keto reductase 0.0358 0.2392 0.2392
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0358 0.2392 0.2392
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0667 0.564 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0358 0.2392 0.2392
Plasmodium falciparum lysophospholipase, putative 0.0667 0.564 1
Echinococcus granulosus aldo keto reductase 0.0358 0.2392 0.2392
Giardia lamblia Aldose reductase 0.0358 0.2392 0.5
Trypanosoma cruzi monoglyceride lipase, putative 0.0667 0.564 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0358 0.2392 0.4241
Mycobacterium leprae Conserved hypothetical protein 0.0254 0.1302 0.2308
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.013 0 0.5
Plasmodium falciparum lysophospholipase, putative 0.0667 0.564 1
Mycobacterium tuberculosis Possible lysophospholipase 0.0667 0.564 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0358 0.2392 0.2392
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0358 0.2392 0.4241
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0358 0.2392 0.2392
Onchocerca volvulus 0.0358 0.2392 0.5
Schistosoma mansoni aldo-keto reductase 0.0358 0.2392 0.2392
Leishmania major aldo-keto reductase-like protein 0.0358 0.2392 0.4241
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0358 0.2392 0.2392
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0358 0.2392 0.2392
Loa Loa (eye worm) hypothetical protein 0.1082 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0358 0.2392 0.2392
Echinococcus multilocularis aldo keto reductase 0.0358 0.2392 0.2392
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0358 0.2392 0.2392
Onchocerca volvulus 0.0358 0.2392 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0667 0.564 1
Toxoplasma gondii aldose reductase, putative 0.0358 0.2392 0.5
Trypanosoma brucei monoglyceride lipase, putative 0.0667 0.564 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0358 0.2392 0.2392
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0358 0.2392 0.2392
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0358 0.2392 0.2392
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0358 0.2392 0.2392
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0667 0.564 1
Echinococcus granulosus aldo keto reductase 0.0358 0.2392 0.2392
Echinococcus multilocularis fatty acid amide hydrolase 1 0.1082 1 1
Trypanosoma brucei monoglyceride lipase, putative 0.0667 0.564 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0358 0.2392 0.2392
Plasmodium vivax PST-A protein 0.0667 0.564 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.1082 1 1
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0358 0.2392 0.4241
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0358 0.2392 0.2392
Loa Loa (eye worm) oxidoreductase 0.0358 0.2392 0.2392
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0358 0.2392 0.4241
Onchocerca volvulus 0.0358 0.2392 0.5
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0667 0.564 1
Onchocerca volvulus 0.0358 0.2392 0.5
Loa Loa (eye worm) oxidoreductase 0.0358 0.2392 0.2392
Echinococcus multilocularis aldo keto reductase 0.0358 0.2392 0.2392
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0358 0.2392 0.2392
Schistosoma mansoni amidase 0.1082 1 1
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0667 0.564 1
Onchocerca volvulus 0.0358 0.2392 0.5
Schistosoma mansoni fatty-acid amide hydrolase 0.1082 1 1
Plasmodium falciparum esterase, putative 0.0667 0.564 1
Echinococcus multilocularis aldo keto reductase 0.0358 0.2392 0.2392
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0667 0.564 1
Loa Loa (eye worm) oxidoreductase 0.0358 0.2392 0.2392
Echinococcus granulosus hypothetical protein 0.0358 0.2392 0.2392
Mycobacterium ulcerans hypothetical protein 0.0667 0.564 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0358 0.2392 0.2392
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0358 0.2392 0.2392
Leishmania major prostaglandin f synthase, putative 0.0358 0.2392 0.4241

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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