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) UDP galactose 4'-epimerase 0.0519 0.9605 1
Onchocerca volvulus 0.0021 0.0324 0.5
Brugia malayi Cytochrome P450 family protein 0.0024 0.0384 0.0399
Trypanosoma cruzi hypothetical protein 0.0021 0.0324 0.0337
Trypanosoma cruzi hypothetical protein, conserved 0.0021 0.0324 0.0337
Mycobacterium ulcerans oxidoreductase 0.0021 0.0324 1
Mycobacterium ulcerans UDP-glucose 4-epimerase GalE2 0.0021 0.0324 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0833 0.0867
Plasmodium falciparum GDP-L-fucose synthase 0.0021 0.0324 0.5
Loa Loa (eye worm) oxidoreductase 0.0021 0.0324 0.0337
Mycobacterium ulcerans non-ribosomal peptide synthetase 0.0021 0.0324 1
Mycobacterium ulcerans hypothetical protein 0.0021 0.0324 1
Trypanosoma brucei GDP-L-fucose synthetase 0.0021 0.0324 0.0324
Trypanosoma cruzi UDP-galactose 4-epimerase, putative 0.0519 0.9605 1
Echinococcus granulosus UDP glucose 4 epimerase 0.0519 0.9605 1
Trypanosoma brucei UDP-galactose 4-epimerase 0.0541 1 1
Echinococcus multilocularis GDP L fucose synthase 0.0021 0.0324 0.0337
Toxoplasma gondii GDP-L-fucose synthetase 0.0021 0.0324 0.0337
Mycobacterium tuberculosis Conserved protein 0.0021 0.0324 1
Mycobacterium tuberculosis Probable UDP-glucose 4-epimerase GalE3 (galactowaldenase) (UDP-galactose 4-epimerase) (uridine diphosphate galactose 4-epimerase 0.0021 0.0324 1
Toxoplasma gondii UDP-glucose 4-epimerase 0.0519 0.9605 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0024 0.0384 0.0399
Trypanosoma brucei L-threonine 3-dehydrogenase 0.0021 0.0324 0.0324
Mycobacterium ulcerans hypothetical protein 0.0021 0.0324 1
Mycobacterium leprae conserved hypothetical protein 0.0021 0.0324 1
Trypanosoma cruzi UDP-galactose 4-epimerase 0.0519 0.9605 1
Trypanosoma cruzi hypothetical protein, conserved 0.0021 0.0324 0.0337
Mycobacterium ulcerans nucleoside-diphosphate-sugar epimerase 0.0021 0.0324 1
Mycobacterium tuberculosis Probable nucleotide-sugar epimerase EpiA 0.0021 0.0324 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0833 0.0867
Brugia malayi NAD dependent epimerase/dehydratase family protein 0.0021 0.0324 0.0337
Echinococcus multilocularis NAD(P) binding domain 0.0021 0.0324 0.0337
Brugia malayi epimerase/reductase 0.0021 0.0324 0.0337
Leishmania major hypothetical protein, conserved 0.0021 0.0324 0.0324
Brugia malayi follicle stimulating hormone receptor 0.025 0.4587 0.4775
Trypanosoma cruzi hypothetical protein, conserved 0.0021 0.0324 0.0337
Echinococcus granulosus epimerase family protein sdr39u1 0.0021 0.0324 0.0337
Mycobacterium ulcerans UDP-glucose 4-epimerase 0.0021 0.0324 1
Trichomonas vaginalis UDP-glucose 4-epimerase, putative 0.0519 0.9605 1
Echinococcus multilocularis NADH dehydrogenase (ubiquinone) 1 alpha 0.0021 0.0324 0.0337
Trypanosoma cruzi L-threonine 3-dehydrogenase, putative 0.0021 0.0324 0.0337
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0833 0.0867
Plasmodium vivax GDP-L-fucose synthase, putative 0.0021 0.0324 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0833 0.0867
Trypanosoma cruzi GDP-L-fucose synthetase, putative 0.0021 0.0324 0.0337
Trypanosoma brucei NAD dependent epimerase/dehydratase family, putative 0.0021 0.0324 0.0324
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0833 0.0867
Mycobacterium ulcerans hypothetical protein 0.0021 0.0324 1
Schistosoma mansoni NAD dependent epimerase/dehydratase 0.0021 0.0324 0.0337
Mycobacterium ulcerans UDP-glucose 4-epimerase 0.0021 0.0324 1
Schistosoma mansoni UDP-glucose 4-epimerase 0.0519 0.9605 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0324 0.0337
Loa Loa (eye worm) follicle stimulating hormone receptor 0.025 0.4587 0.4775
Mycobacterium ulcerans hypothetical protein 0.0021 0.0324 1
Mycobacterium tuberculosis Possible dTDP-glucose 4,6-dehydratase 0.0021 0.0324 1
Mycobacterium ulcerans oxidoreductase 0.0021 0.0324 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0833 0.0867
Entamoeba histolytica UDP-glucose 4-epimerase, putative 0.0519 0.9605 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0833 0.0867
Brugia malayi UDP galactose 4'-epimerase 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
Onchocerca volvulus 0.0021 0.0324 0.5
Onchocerca volvulus 0.0021 0.0324 0.5
Echinococcus granulosus GDP L fucose synthase 0.0021 0.0324 0.0337
Mycobacterium tuberculosis Possible oxidoreductase 0.0021 0.0324 1
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 epimerase family protein sdr39u1 0.0021 0.0324 0.0337
Trypanosoma cruzi NAD dependent epimerase/dehydratase family, putative 0.0021 0.0324 0.0337
Wolbachia endosymbiont of Brugia malayi nucleoside-diphosphate-sugar epimerase 0.0021 0.0324 0.5
Mycobacterium leprae POSSIBLE UDP-GLUCOSE 4-EPIMERASE GALE2 (GALACTOWALDENASE) (UDP-GALACTOSE 4-EPIMERASE) (URIDINE DIPHOSPHATE GALACTOSE 4-EPIMERASE 0.0021 0.0324 1
Mycobacterium tuberculosis Possible oxidoreductase 0.0021 0.0324 1
Echinococcus multilocularis UDP glucose 4 epimerase 0.0519 0.9605 1
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 27 0.0021 0.0324 0.0337
Echinococcus granulosus NADH dehydrogenase ubiquinone 1 alpha 0.0021 0.0324 0.0337
Brugia malayi GDP-L-fucose synthetase 0.0021 0.0324 0.0337
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0833 0.0867
Trypanosoma cruzi NAD dependent epimerase/dehydratase family, putative 0.0021 0.0324 0.0337
Onchocerca volvulus 0.0021 0.0324 0.5
Toxoplasma gondii NAD dependent epimerase/dehydratase family protein 0.0021 0.0324 0.0337
Trypanosoma cruzi L-threonine 3-dehydrogenase, putative 0.0021 0.0324 0.0337
Trypanosoma cruzi GDP-mannose 4,6 dehydratase, putative 0.0021 0.0324 0.0337
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0519 0.9605 1
Trypanosoma brucei NAD dependent epimerase/dehydratase family, putative 0.0021 0.0324 0.0324
Leishmania major udp-glc 4-epimerase, putative 0.0541 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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