Detailed information for compound 979502
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]1OC(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-ANHOVEHDSA-N
Network
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Synonyms
No synonyms found for this compound
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Rattus norvegicus | Aldose reductase | Starlite/ChEMBL | References |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Leishmania major | prostaglandin f2-alpha synthase/D-arabinose dehydrogenase | 0.0038 | 1 | 1 |
| Entamoeba histolytica | aldose reductase, putative | 0.0038 | 1 | 1 |
| Leishmania major | aldehyde reductase, putative,oxidoreductase, putative | 0.0038 | 1 | 1 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0038 | 1 | 1 |
| Onchocerca volvulus | 0.0038 | 1 | 1 | |
| Plasmodium vivax | tyrosine kinase-like protein, putative | 0.0033 | 0 | 0.5 |
| Loa Loa (eye worm) | oxidoreductase | 0.0038 | 1 | 1 |
| Onchocerca volvulus | 0.0038 | 1 | 1 | |
| Plasmodium falciparum | protein kinase, putative | 0.0033 | 0 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0038 | 1 | 1 |
| Echinococcus multilocularis | aldo keto reductase | 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 |
| Trypanosoma brucei | prostaglandin f synthase | 0.0038 | 1 | 1 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0038 | 1 | 1 |
| Echinococcus granulosus | aldo keto reductase | 0.0038 | 1 | 1 |
| Echinococcus multilocularis | aldo keto reductase | 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 |
| Echinococcus granulosus | aldo keto reductase | 0.0038 | 1 | 1 |
| Entamoeba histolytica | protein kinase, putative | 0.0037 | 0.6838 | 0.6838 |
| Brugia malayi | oxidoreductase, aldo/keto reductase family protein | 0.0038 | 1 | 1 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0038 | 1 | 1 |
| Toxoplasma gondii | aldose reductase, putative | 0.0038 | 1 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0038 | 1 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.0037 | 0.6838 | 0.6838 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 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 |
| Schistosoma mansoni | pol-related | 0.0038 | 1 | 1 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0038 | 1 | 1 |
| Plasmodium falciparum | protein kinase, putative | 0.0033 | 0 | 0.5 |
| Leishmania major | aldo-keto reductase-like protein | 0.0038 | 1 | 1 |
| Echinococcus granulosus | 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 | |
| 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 |
| Onchocerca volvulus | 0.0038 | 1 | 1 | |
| Plasmodium falciparum | protein kinase, putative | 0.0033 | 0 | 0.5 |
| Trichomonas vaginalis | dihydrodiol dehydrogenase, putative | 0.0038 | 1 | 1 |
| Trichomonas vaginalis | aldo/keto reductase, putative | 0.0038 | 1 | 1 |
| Onchocerca volvulus | 0.0038 | 1 | 1 | |
| Plasmodium vivax | protein kinase, putative | 0.0033 | 0 | 0.5 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0038 | 1 | 1 |
| Schistosoma mansoni | aldo-keto reductase | 0.0038 | 1 | 1 |
| Mycobacterium leprae | PROBABLE OXIDOREDUCTASE | 0.0038 | 1 | 0.5 |
| Echinococcus granulosus | hypothetical protein | 0.0038 | 1 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0038 | 1 | 1 |
| Entamoeba histolytica | aldose reductase, putative | 0.0038 | 1 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.0037 | 0.6838 | 0.6838 |
| Plasmodium falciparum | tyrosine kinase-like protein | 0.0033 | 0 | 0.5 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0038 | 1 | 1 |
| Trypanosoma brucei | aldo-keto reductase, putative | 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 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0038 | 1 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0038 | 1 | 1 |
| Echinococcus granulosus | aldo keto reductase | 0.0038 | 1 | 1 |
| Loa Loa (eye worm) | oxidoreductase | 0.0038 | 1 | 1 |
| Brugia malayi | oxidoreductase, aldo/keto reductase family protein | 0.0038 | 1 | 1 |
| Mycobacterium ulcerans | oxidoreductase | 0.0038 | 1 | 0.5 |
| Loa Loa (eye worm) | oxidoreductase | 0.0038 | 1 | 1 |
| Giardia lamblia | Aldose reductase | 0.0038 | 1 | 1 |
| Giardia lamblia | Aldose reductase | 0.0038 | 1 | 1 |
| Trichomonas vaginalis | aldo/keto reductase, putative | 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 |
| Plasmodium vivax | tyrosine kinase-like protein, putative | 0.0033 | 0 | 0.5 |
| Entamoeba histolytica | aldose reductase, putative | 0.0038 | 1 | 1 |
| Brugia malayi | oxidoreductase, aldo/keto reductase family protein | 0.0038 | 1 | 1 |
| Echinococcus multilocularis | aldo keto reductase | 0.0038 | 1 | 1 |
| Trypanosoma cruzi | aldo-keto reductase | 0.0038 | 1 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 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 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0038 | 1 | 1 |
| Entamoeba histolytica | leucine-rich repeat domain-containing protein | 0.0037 | 0.6838 | 0.6838 |
| Echinococcus multilocularis | aldo keto reductase | 0.0038 | 1 | 1 |
| Mycobacterium tuberculosis | Probable oxidoreductase | 0.0038 | 1 | 0.5 |
| Leishmania major | prostaglandin f synthase, putative | 0.0038 | 1 | 1 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0038 | 1 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.0037 | 0.6838 | 0.6838 |
| Schistosoma mansoni | aldo-keto reductase | 0.0038 | 1 | 1 |
| Trypanosoma cruzi | aldo/keto reductase, putative | 0.0038 | 1 | 1 |
| Loa Loa (eye worm) | oxidoreductase | 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 |
| Trichomonas vaginalis | dihydrodiol dehydrogenase, putative | 0.0038 | 1 | 1 |
| Trichomonas vaginalis | dihydrodiol dehydrogenase, putative | 0.0038 | 1 | 1 |
| 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 |
| Onchocerca volvulus | 0.0038 | 1 | 1 | |
| Trichomonas vaginalis | aldo/keto reductase, putative | 0.0038 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (binding) | = 4.88 | Inhibition of rat lens aldose reductase | ChEMBL. | 18585047 |
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: CHEMBL476097
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.