Detailed information for compound 987247
Basic information
Technical information
- Name: Unnamed compound
- MW: 506.456 | Formula: C24H26O12
-
H donors: 5
H acceptors: 6
LogP: 1.13
Rotable bonds: 7
Rule of 5 violations (Lipinski): 2 - SMILES: OC[C@H]1O[C@@H](Oc2ccc(cc2OC)c2cc(=O)c3c(o2)cc(c(c3O)OC)OC)[C@@H]([C@H]([C@@H]1O)O)O
- InChi: 1S/C24H26O12/c1-31-14-6-10(4-5-12(14)35-24-22(30)21(29)19(27)17(9-25)36-24)13-7-11(26)18-15(34-13)8-16(32-2)23(33-3)20(18)28/h4-8,17,19,21-22,24-25,27-30H,9H2,1-3H3/t17-,19-,21+,22-,24-/m1/s1
- InChiKey: DESCMBTYIJAXJU-TVRGYRPLSA-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 |
|---|---|---|---|---|
| Plasmodium falciparum | tyrosine kinase-like protein | 0.0033 | 0 | 0.5 |
| Echinococcus multilocularis | aldo keto reductase | 0.0038 | 1 | 1 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0038 | 1 | 1 |
| Trichomonas vaginalis | aldo/keto reductase, putative | 0.0038 | 1 | 1 |
| Loa Loa (eye worm) | oxidoreductase | 0.0038 | 1 | 1 |
| Plasmodium vivax | protein kinase, putative | 0.0033 | 0 | 0.5 |
| Leishmania major | prostaglandin f synthase, putative | 0.0038 | 1 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.0037 | 0.6838 | 0.6838 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0038 | 1 | 1 |
| Echinococcus multilocularis | aldo keto reductase | 0.0038 | 1 | 1 |
| Trypanosoma brucei | aldo-keto reductase, putative | 0.0038 | 1 | 1 |
| Plasmodium vivax | tyrosine kinase-like protein, putative | 0.0033 | 0 | 0.5 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0038 | 1 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0038 | 1 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0038 | 1 | 1 |
| Trichomonas vaginalis | aldo/keto reductase, putative | 0.0038 | 1 | 1 |
| Plasmodium falciparum | protein kinase, putative | 0.0033 | 0 | 0.5 |
| Brugia malayi | oxidoreductase, aldo/keto reductase family protein | 0.0038 | 1 | 1 |
| Plasmodium vivax | tyrosine kinase-like protein, putative | 0.0033 | 0 | 0.5 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0038 | 1 | 1 |
| Echinococcus granulosus | aldo keto reductase | 0.0038 | 1 | 1 |
| Leishmania major | prostaglandin f2-alpha synthase/D-arabinose dehydrogenase | 0.0038 | 1 | 1 |
| Plasmodium falciparum | protein kinase, putative | 0.0033 | 0 | 0.5 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0038 | 1 | 1 |
| Onchocerca volvulus | 0.0038 | 1 | 1 | |
| Entamoeba histolytica | hypothetical protein | 0.0037 | 0.6838 | 0.6838 |
| Schistosoma mansoni | aldo-keto reductase | 0.0038 | 1 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0038 | 1 | 1 |
| Loa Loa (eye worm) | oxidoreductase | 0.0038 | 1 | 1 |
| Plasmodium falciparum | protein kinase, putative | 0.0033 | 0 | 0.5 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0038 | 1 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0038 | 1 | 1 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0038 | 1 | 1 |
| Leishmania major | aldehyde reductase, putative,oxidoreductase, putative | 0.0038 | 1 | 1 |
| Brugia malayi | oxidoreductase, aldo/keto reductase family protein | 0.0038 | 1 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0038 | 1 | 1 |
| Mycobacterium leprae | PROBABLE OXIDOREDUCTASE | 0.0038 | 1 | 0.5 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0038 | 1 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.0037 | 0.6838 | 0.6838 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0038 | 1 | 1 |
| Trichomonas vaginalis | aldo/keto reductase, putative | 0.0038 | 1 | 1 |
| Onchocerca volvulus | 0.0038 | 1 | 1 | |
| Mycobacterium tuberculosis | Probable oxidoreductase | 0.0038 | 1 | 0.5 |
| Mycobacterium ulcerans | oxidoreductase | 0.0038 | 1 | 0.5 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0038 | 1 | 1 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0038 | 1 | 1 |
| Giardia lamblia | Aldose reductase | 0.0038 | 1 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0038 | 1 | 1 |
| Onchocerca volvulus | 0.0038 | 1 | 1 | |
| Brugia malayi | oxidoreductase, aldo/keto reductase family protein | 0.0038 | 1 | 1 |
| Trypanosoma brucei | prostaglandin f synthase | 0.0038 | 1 | 1 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0038 | 1 | 1 |
| Onchocerca volvulus | 0.0038 | 1 | 1 | |
| Echinococcus granulosus | hypothetical protein | 0.0038 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0038 | 1 | 1 |
| Echinococcus multilocularis | aldo keto reductase | 0.0038 | 1 | 1 |
| Trichomonas vaginalis | dihydrodiol dehydrogenase, putative | 0.0038 | 1 | 1 |
| Entamoeba histolytica | aldose reductase, putative | 0.0038 | 1 | 1 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0038 | 1 | 1 |
| Giardia lamblia | Aldose reductase | 0.0038 | 1 | 1 |
| Echinococcus granulosus | aldo keto reductase | 0.0038 | 1 | 1 |
| Trypanosoma cruzi | aldo/keto reductase, putative | 0.0038 | 1 | 1 |
| Echinococcus granulosus | aldo keto reductase | 0.0038 | 1 | 1 |
| Trichomonas vaginalis | dihydrodiol dehydrogenase, putative | 0.0038 | 1 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0038 | 1 | 1 |
| Loa Loa (eye worm) | oxidoreductase | 0.0038 | 1 | 1 |
| Entamoeba histolytica | aldose reductase, putative | 0.0038 | 1 | 1 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0038 | 1 | 1 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0038 | 1 | 1 |
| Loa Loa (eye worm) | oxidoreductase | 0.0038 | 1 | 1 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0038 | 1 | 1 |
| Entamoeba histolytica | aldose reductase, putative | 0.0038 | 1 | 1 |
| Onchocerca volvulus | 0.0038 | 1 | 1 | |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0038 | 1 | 1 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0038 | 1 | 1 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0038 | 1 | 1 |
| Trypanosoma cruzi | aldo-keto reductase | 0.0038 | 1 | 1 |
| Onchocerca volvulus | 0.0038 | 1 | 1 | |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0038 | 1 | 1 |
| Trichomonas vaginalis | dihydrodiol dehydrogenase, putative | 0.0038 | 1 | 1 |
| Schistosoma mansoni | pol-related | 0.0038 | 1 | 1 |
| Entamoeba histolytica | leucine-rich repeat domain-containing protein | 0.0037 | 0.6838 | 0.6838 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0038 | 1 | 1 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0038 | 1 | 1 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0038 | 1 | 1 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0038 | 1 | 1 |
| Plasmodium falciparum | tyrosine kinase-like protein | 0.0033 | 0 | 0.5 |
| Loa Loa (eye worm) | oxidoreductase | 0.0038 | 1 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0038 | 1 | 1 |
| Schistosoma mansoni | aldo-keto reductase | 0.0038 | 1 | 1 |
| Entamoeba histolytica | protein kinase, putative | 0.0037 | 0.6838 | 0.6838 |
| Leishmania major | aldo-keto reductase-like protein | 0.0038 | 1 | 1 |
| Echinococcus multilocularis | aldo keto reductase | 0.0038 | 1 | 1 |
| Toxoplasma gondii | aldose reductase, putative | 0.0038 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Inhibition (binding) | = 0 % | Inhibition of cow milk xanthine oxidase at 50 ug/mL | ChEMBL. | 3379415 |
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.
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
- ChEMBL: CHEMBL487414
Bibliographic References
No literature references available for this target.
If you have references for this compound, please enter them in a user comment (below) or Contact us.