Detailed information for compound 973393

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 420.582 | Formula: C25H40O5
  • H donors: 1 H acceptors: 3 LogP: 5.15 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)[C@]1(C)CCC[C@@]2([C@@H]1CC[C@@]13[C@H]2CC[C@@](C1)([C@@H]([C@H]3COC(=O)C)O)C)C
  • InChi: 1S/C25H40O5/c1-6-29-21(28)24(5)11-7-10-23(4)18(24)9-13-25-15-22(3,12-8-19(23)25)20(27)17(25)14-30-16(2)26/h17-20,27H,6-15H2,1-5H3/t17-,18+,19+,20-,22+,23-,24-,25-/m1/s1
  • InChiKey: KGUKPIIGDSGPQO-JSRUGDOASA-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
Loa Loa (eye worm) hypothetical protein 0.0021 0.0324 0.0337
Echinococcus granulosus NADP binding domain 0.0021 0.0324 0.0337
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0519 0.9605 1
Echinococcus multilocularis NAD(P) binding domain 0.0021 0.0324 0.0337
Loa Loa (eye worm) UDP galactose 4'-epimerase 0.0519 0.9605 1
Mycobacterium ulcerans hypothetical protein 0.0021 0.0324 1
Mycobacterium leprae POSSIBLE UDP-GLUCOSE 4-EPIMERASE GALE2 (GALACTOWALDENASE) (UDP-GALACTOSE 4-EPIMERASE) (URIDINE DIPHOSPHATE GALACTOSE 4-EPIMERASE 0.0021 0.0324 1
Trypanosoma cruzi GDP-L-fucose synthetase, putative 0.0021 0.0324 0.0337
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0833 0.0867
Trypanosoma cruzi hypothetical protein, conserved 0.0021 0.0324 0.0337
Leishmania major udp-glc 4-epimerase, putative 0.0541 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0833 0.0867
Echinococcus multilocularis NADH dehydrogenase (ubiquinone) 1 alpha 0.0021 0.0324 0.0337
Toxoplasma gondii UDP-glucose 4-epimerase 0.0519 0.9605 1
Trypanosoma cruzi hypothetical protein, conserved 0.0021 0.0324 0.0337
Plasmodium vivax GDP-L-fucose synthase, putative 0.0021 0.0324 0.5
Mycobacterium tuberculosis Possible dTDP-glucose 4,6-dehydratase 0.0021 0.0324 1
Echinococcus multilocularis UDP glucose 4 epimerase 0.0519 0.9605 1
Mycobacterium ulcerans UDP-glucose 4-epimerase 0.0021 0.0324 1
Echinococcus granulosus NADH dehydrogenase ubiquinone 1 alpha 0.0021 0.0324 0.0337
Trypanosoma brucei NAD dependent epimerase/dehydratase family, putative 0.0021 0.0324 0.0324
Trypanosoma cruzi hypothetical protein, conserved 0.0021 0.0324 0.0337
Mycobacterium ulcerans oxidoreductase 0.0021 0.0324 1
Toxoplasma gondii GDP-L-fucose synthetase 0.0021 0.0324 0.0337
Echinococcus multilocularis epimerase family protein sdr39u1 0.0021 0.0324 0.0337
Brugia malayi GDP-L-fucose synthetase 0.0021 0.0324 0.0337
Onchocerca volvulus 0.0021 0.0324 0.5
Plasmodium falciparum GDP-L-fucose synthase 0.0021 0.0324 0.5
Trypanosoma cruzi GDP-mannose 4,6 dehydratase, putative 0.0021 0.0324 0.0337
Trypanosoma brucei L-threonine 3-dehydrogenase 0.0021 0.0324 0.0324
Toxoplasma gondii NAD dependent epimerase/dehydratase family protein 0.0021 0.0324 0.0337
Mycobacterium tuberculosis Possible oxidoreductase 0.0021 0.0324 1
Brugia malayi follicle stimulating hormone receptor 0.025 0.4587 0.4775
Schistosoma mansoni NAD dependent epimerase/dehydratase 0.0021 0.0324 0.0337
Trypanosoma cruzi NAD dependent epimerase/dehydratase family, putative 0.0021 0.0324 0.0337
Mycobacterium leprae conserved hypothetical protein 0.0021 0.0324 1
Brugia malayi NAD dependent epimerase/dehydratase family protein 0.0021 0.0324 0.0337
Loa Loa (eye worm) oxidoreductase 0.0021 0.0324 0.0337
Mycobacterium tuberculosis Probable UDP-glucose 4-epimerase GalE3 (galactowaldenase) (UDP-galactose 4-epimerase) (uridine diphosphate galactose 4-epimerase 0.0021 0.0324 1
Trypanosoma cruzi UDP-galactose 4-epimerase, putative 0.0519 0.9605 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.025 0.4587 0.4775
Loa Loa (eye worm) hypothetical protein 0.0021 0.0324 0.0337
Trypanosoma cruzi hypothetical protein 0.0021 0.0324 0.0337
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0833 0.0867
Brugia malayi Cytochrome P450 family protein 0.0024 0.0384 0.0399
Onchocerca volvulus 0.0021 0.0324 0.5
Trypanosoma cruzi L-threonine 3-dehydrogenase, putative 0.0021 0.0324 0.0337
Mycobacterium ulcerans hypothetical protein 0.0021 0.0324 1
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0519 0.9605 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0833 0.0867
Wolbachia endosymbiont of Brugia malayi nucleoside-diphosphate-sugar epimerase 0.0021 0.0324 0.5
Mycobacterium ulcerans non-ribosomal peptide synthetase 0.0021 0.0324 1
Echinococcus multilocularis GDP L fucose synthase 0.0021 0.0324 0.0337
Trypanosoma cruzi NAD dependent epimerase/dehydratase family, putative 0.0021 0.0324 0.0337
Entamoeba histolytica UDP-glucose 4-epimerase, putative 0.0519 0.9605 1
Onchocerca volvulus 0.0021 0.0324 0.5
Mycobacterium tuberculosis Possible oxidoreductase 0.0021 0.0324 1
Leishmania major hypothetical protein, conserved 0.0021 0.0324 0.0324
Mycobacterium ulcerans UDP-glucose 4-epimerase GalE2 0.0021 0.0324 1
Trypanosoma brucei UDP-galactose 4-epimerase 0.0541 1 1
Mycobacterium ulcerans hypothetical protein 0.0021 0.0324 1
Onchocerca volvulus 0.0021 0.0324 0.5
Echinococcus granulosus UDP glucose 4 epimerase 0.0519 0.9605 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0833 0.0867
Trichomonas vaginalis UDP-glucose 4-epimerase, putative 0.0519 0.9605 1
Trypanosoma brucei NAD dependent epimerase/dehydratase family, putative 0.0021 0.0324 0.0324
Mycobacterium ulcerans oxidoreductase 0.0021 0.0324 1
Mycobacterium ulcerans nucleoside-diphosphate-sugar epimerase 0.0021 0.0324 1
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 27 0.0021 0.0324 0.0337
Trypanosoma cruzi L-threonine 3-dehydrogenase, putative 0.0021 0.0324 0.0337
Mycobacterium tuberculosis Conserved protein 0.0021 0.0324 1
Brugia malayi epimerase/reductase 0.0021 0.0324 0.0337
Trypanosoma brucei GDP-L-fucose synthetase 0.0021 0.0324 0.0324
Loa Loa (eye worm) cytochrome P450 family protein 0.0024 0.0384 0.0399
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0833 0.0867
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0833 0.0867
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0833 0.0867
Mycobacterium tuberculosis Probable nucleotide-sugar epimerase EpiA 0.0021 0.0324 1
Mycobacterium ulcerans UDP-glucose 4-epimerase 0.0021 0.0324 1
Mycobacterium ulcerans hypothetical protein 0.0021 0.0324 1
Trypanosoma cruzi UDP-galactose 4-epimerase 0.0519 0.9605 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0833 0.0867
Schistosoma mansoni UDP-glucose 4-epimerase 0.0519 0.9605 1
Echinococcus granulosus epimerase family protein sdr39u1 0.0021 0.0324 0.0337
Echinococcus granulosus GDP L fucose synthase 0.0021 0.0324 0.0337
Brugia malayi UDP galactose 4'-epimerase 0.0519 0.9605 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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