Detailed information for compound 1791431
Basic information
Technical information
- TDR Targets ID: 1791431
- Name: (E)-1-(5-chloro-2-hydroxyphenyl)-3-(2,3,4-tri hydroxyphenyl)prop-2-en-1-one
- MW: 306.698 | Formula: C15H11ClO5
-
H donors: 4
H acceptors: 5
LogP: 3.45
Rotable bonds: 3
Rule of 5 violations (Lipinski): 1 - SMILES: Clc1ccc(c(c1)C(=O)/C=C/c1ccc(c(c1O)O)O)O
- InChi: 1S/C15H11ClO5/c16-9-3-6-12(18)10(7-9)11(17)4-1-8-2-5-13(19)15(21)14(8)20/h1-7,18-21H/b4-1+
- InChiKey: GXKYTAXEKMUUPO-DAFODLJHSA-N
Network
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Synonyms
- (E)-1-(5-chloro-2-hydroxy-phenyl)-3-(2,3,4-trihydroxyphenyl)prop-2-en-1-one
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Rattus norvegicus | Aldose reductase | Starlite/ChEMBL | No 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 |
|---|---|---|---|---|
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0038 | 0 | 0.5 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0038 | 0 | 0.5 |
| Leishmania major | 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative | 0.1546 | 1 | 1 |
| Mycobacterium leprae | PROBABLE OXIDOREDUCTASE | 0.0038 | 0 | 0.5 |
| Mycobacterium ulcerans | fructose-2,6-bisphosphatase GpmB | 0.0913 | 0.5798 | 1 |
| Trypanosoma cruzi | 6-phosphofructo-2-kinase 1 | 0.152 | 0.9827 | 0.9827 |
| Trichomonas vaginalis | dihydrodiol dehydrogenase, putative | 0.0038 | 0 | 0.5 |
| Mycobacterium tuberculosis | Probable oxidoreductase | 0.0038 | 0 | 0.5 |
| Trichomonas vaginalis | aldo/keto reductase, putative | 0.0038 | 0 | 0.5 |
| Brugia malayi | oxidoreductase, aldo/keto reductase family protein | 0.0038 | 0 | 0.5 |
| Trichomonas vaginalis | aldo/keto reductase, putative | 0.0038 | 0 | 0.5 |
| Toxoplasma gondii | aldose reductase, putative | 0.0038 | 0 | 0.5 |
| Trypanosoma brucei | 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative | 0.066 | 0.4122 | 0.4122 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0038 | 0 | 0.5 |
| Trypanosoma cruzi | 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative | 0.1546 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0887 | 0.5625 | 0.5625 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0038 | 0 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.1546 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.152 | 0.9827 | 0.9827 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0038 | 0 | 0.5 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0038 | 0 | 0.5 |
| Trypanosoma cruzi | 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative | 0.066 | 0.4122 | 0.4122 |
| Trichomonas vaginalis | dihydrodiol dehydrogenase, putative | 0.0038 | 0 | 0.5 |
| Leishmania major | 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative | 0.152 | 0.9827 | 0.9827 |
| Trichomonas vaginalis | aldo/keto reductase, putative | 0.0038 | 0 | 0.5 |
| Giardia lamblia | Hypothetical protein | 0.0913 | 0.5798 | 1 |
| Mycobacterium ulcerans | hypothetical protein | 0.0913 | 0.5798 | 1 |
| Trypanosoma cruzi | 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative | 0.1546 | 1 | 1 |
| Onchocerca volvulus | 0.1546 | 1 | 1 | |
| Trypanosoma cruzi | 6-phosphofructo-2-kinase 1 | 0.152 | 0.9827 | 0.9827 |
| Echinococcus multilocularis | 6 phosphofructo 2 kinase:fructose 2 | 0.1546 | 1 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0038 | 0 | 0.5 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0038 | 0 | 0.5 |
| Trypanosoma cruzi | 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative | 0.066 | 0.4122 | 0.4122 |
| Brugia malayi | oxidoreductase, aldo/keto reductase family protein | 0.0038 | 0 | 0.5 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0038 | 0 | 0.5 |
| Leishmania major | 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein | 0.066 | 0.4122 | 0.4122 |
| Schistosoma mansoni | 6-phosphofructokinase | 0.1546 | 1 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0038 | 0 | 0.5 |
| Trichomonas vaginalis | dihydrodiol dehydrogenase, putative | 0.0038 | 0 | 0.5 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0038 | 0 | 0.5 |
| Trypanosoma brucei | 6-phosphofructo-2-kinase 2 | 0.152 | 0.9827 | 0.9827 |
| Entamoeba histolytica | phosphoglycerate mutase family protein, putative | 0.0913 | 0.5798 | 1 |
| Brugia malayi | oxidoreductase, aldo/keto reductase family protein | 0.0038 | 0 | 0.5 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0038 | 0 | 0.5 |
| Trypanosoma brucei | 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative | 0.1546 | 1 | 1 |
| Brugia malayi | oxidoreductase, aldo/keto reductase family protein | 0.0038 | 0 | 0.5 |
| Giardia lamblia | Hypothetical protein | 0.0913 | 0.5798 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (binding) | = 2.23 uM | Inhibition of Rattus norvegicus (rat) lens aldose reductase | ChEMBL. | No reference |
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: CHEMBL2297683
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.