Detailed information for compound 49823
Basic information
Technical information
- TDR Targets ID: 49823
- Name: 2-methyl-4-oxopyran-3-olate; oxovanadium(2+)
- MW: 317.145 | Formula: C12H10O7V
-
H donors: 0
H acceptors: 3
LogP: 0.78
Rotable bonds: 4
Rule of 5 violations (Lipinski): 1 - SMILES: Cc1occc(=O)c1O[V](=O)Oc1c(=O)ccoc1C
- InChi: 1S/2C6H6O3.O.V/c2*1-4-6(8)5(7)2-3-9-4;;/h2*2-3,8H,1H3;;/q;;;+2/p-2
- InChiKey: XUOLEICXAPEOSI-UHFFFAOYSA-L
Network
Hover on a compound node to display the structore
Synonyms
- 2-methyl-4-oxo-pyran-3-olate; oxovanadium(2+)
- 2-methyl-4-oxo-3-pyranolate; oxovanadium(2+)
- 4-keto-2-methyl-pyran-3-olate; ketovanadium(2+)
- bis(maltolato)oxovanadium(IV)
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 |
|---|---|---|---|---|
| Brugia malayi | Protein kinase domain containing protein | 0.0927 | 0.9836 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0927 | 0.9836 | 1 |
| Treponema pallidum | DNA gyrase, subunit A (gyrA) | 0.0256 | 0.2506 | 1 |
| Trypanosoma brucei | DNA topoisomerase ii | 0.0098 | 0.0777 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0927 | 0.9836 | 1 |
| Onchocerca volvulus | DNA topoisomerase 2 homolog | 0.0055 | 0.0314 | 0.5 |
| Wolbachia endosymbiont of Brugia malayi | DNA gyrase subunit A | 0.0256 | 0.2506 | 1 |
| Plasmodium vivax | DNA gyrase subunit A, putative | 0.0256 | 0.2506 | 1 |
| Trichomonas vaginalis | DNA topoisomerase II, putative | 0.0055 | 0.0314 | 0.5 |
| Chlamydia trachomatis | DNA gyrase subunit A | 0.0256 | 0.2506 | 1 |
| Plasmodium falciparum | DNA gyrase subunit B | 0.0123 | 0.1055 | 0.3378 |
| Entamoeba histolytica | DNA topoisomerase II, putative | 0.0055 | 0.0314 | 0.5 |
| Chlamydia trachomatis | DNA gyrase subunit B | 0.0123 | 0.1055 | 0.4208 |
| Mycobacterium leprae | Probable DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) | 0.0122 | 0.1043 | 1 |
| Onchocerca volvulus | Putative DNA topoisomerase 2, mitochondrial | 0.0055 | 0.0314 | 0.5 |
| Plasmodium falciparum | DNA gyrase subunit A | 0.0256 | 0.2506 | 1 |
| Plasmodium vivax | DNA gyrase subunit B, putative | 0.0123 | 0.1055 | 0.3378 |
| Loa Loa (eye worm) | TKL/MLK/LZK protein kinase | 0.0927 | 0.9836 | 1 |
| Leishmania major | mitochondrial DNA topoisomerase II | 0.0098 | 0.0777 | 1 |
| Toxoplasma gondii | DNA gyrase/topoisomerase IV, A subunit domain-containing protein | 0.0256 | 0.2506 | 1 |
| Mycobacterium tuberculosis | DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) | 0.0256 | 0.2506 | 1 |
| Chlamydia trachomatis | DNA gyrase subunit B | 0.0081 | 0.0592 | 0.236 |
| Onchocerca volvulus | DNA topoisomerase 2 homolog | 0.0055 | 0.0314 | 0.5 |
| Giardia lamblia | DNA topoisomerase II | 0.0051 | 0.0272 | 0.5 |
| Mycobacterium ulcerans | DNA gyrase subunit A | 0.0256 | 0.2506 | 1 |
| Echinococcus granulosus | mitogen activated protein kinase kinase kinase | 0.0927 | 0.9836 | 1 |
| Trypanosoma cruzi | mitochondrial DNA topoisomerase II, putative | 0.0098 | 0.0777 | 1 |
| Trypanosoma cruzi | mitochondrial DNA topoisomerase II, putative | 0.0098 | 0.0777 | 1 |
| Loa Loa (eye worm) | TOPoisomerase family member | 0.0055 | 0.0314 | 0.032 |
| Echinococcus multilocularis | mitogen activated protein kinase kinase kinase | 0.0927 | 0.9836 | 1 |
| Toxoplasma gondii | ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein | 0.0071 | 0.0487 | 0.0788 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Fluid (functional) | = 43 ml rat-1 day-1 | Decrease in fluid intake of male Wistar rats control treated (CT) group (number of rats = 11) which recieved compound dissolved in tap water | ChEMBL. | 1573642 |
| Fluid (functional) | = 52 ml rat-1 day-1 | Decrease in fluid (mL/rat/day)intake in male Wistar rats diabetic treated (DT) group (number of rats = 12) which recieved compound dissolved in tap water | ChEMBL. | 1573642 |
| Fluid (functional) | = 59 ml rat-1 day-1 | Decrease in fluid intake of Male Wilstar ratsrecieved an equivalent volume of isotonic saline (C control group) | ChEMBL. | 1573642 |
| Fluid (functional) | = 264 ml rat-1 day-1 | Decrease in fluid (mL/rat/day)intakein male Wistar rats diabetic (D) group (number of rats = 11) where the diabetic state was induced by intravenous administration of streptozocin (STZ) at 60 mg/kg | ChEMBL. | 1573642 |
| Food (functional) | = 28.3 g rat-1 day-1 | Decrease infood intake of Male Wilstar ratsrecieved an equivalent volume of isotonic saline (C control group) | ChEMBL. | 1573642 |
| Food (functional) | = 28.8 g rat-1 day-1 | Decrease in food intake of male Wistar rats control treated (CT) group (number of rats = 11) which recieved compound dissolved in tap water | ChEMBL. | 1573642 |
| Food (functional) | = 37.9 g rat-1 day-1 | Decrease food (g/rat/day)intake in male Wistar rats diabetic treated (DT) group (number of rats = 12) which recieved compound dissolved in tap water | ChEMBL. | 1573642 |
| Food (functional) | = 63.5 g rat-1 day-1 | Decrease in food (g/rat/day)in takein male Wistar rats diabetic (D) group (number of rats = 11) where the diabetic state was induced by intravenous administration of streptozocin (STZ) at 60 mg/kg | ChEMBL. | 1573642 |
| Plasma cholesterol (functional) | = 1.4 mM | Decrease in plasma cholesterol (mM) of Male Wilstar ratsrecieved an equivalent volume of isotonic saline (C control group) | ChEMBL. | 1573642 |
| Plasma cholesterol (functional) | = 1.6 mM | Decrease in plasma cholesterol (mM) in male Wistar rats diabetic treated (DT) group (number of rats = 12) which recieved compound dissolved in tap water | ChEMBL. | 1573642 |
| Plasma cholesterol (functional) | = 1.7 mM | Decrease in plasma cholesterol (mM) of male Wistar rats control treated (CT) group (number of rats = 11) which recieved compound dissolved in tap water | ChEMBL. | 1573642 |
| Plasma cholesterol (functional) | = 2.4 mM | Decrease in plasma cholesterol (mM)in male Wistar rats diabetic (D) group (number of rats = 11) where the diabetic state was induced by intravenous administration of streptozocin (STZ) at 60 mg/kg | ChEMBL. | 1573642 |
| Plasma glucose (functional) | = 4 mM | Decrease in plasma glucose (mM) of Male Wilstar ratsrecieved an equivalent volume of isotonic saline (C control group) | ChEMBL. | 1573642 |
| Plasma glucose (functional) | = 4.1 mM | Decrease in plasma glucose (mM) of male Wistar rats control treated (CT) group (number of rats = 11) which recieved compound dissolved in tap water | ChEMBL. | 1573642 |
| Plasma glucose (functional) | = 7 mM | Decrease in plasma glucose (mM) in male Wistar rats diabetic treated (DT) group (number of rats = 12) which recieved compound dissolved in tap water | ChEMBL. | 1573642 |
| Plasma glucose (functional) | = 13.9 mM | Decrease in plasma glucose (mM)in male Wistar rats diabetic (D) group (number of rats = 11) where the diabetic state was induced by intravenous administration of streptozocin (STZ) at 60 mg/kg | ChEMBL. | 1573642 |
| Plasma insulin (functional) | = 21.6 uUnits ml-1 | Decrease in plasma insulin(microUnits/mL) of male Wistar rats control treated (CT) group (number of rats = 11) which recieved compound dissolved in tap water | ChEMBL. | 1573642 |
| Plasma insulin (functional) | = 21.9 uUnits ml-1 | Decrease in plasma insulin(microUnits/mL)in male Wistar rats diabetic treated (DT) group (number of rats = 12) which recieved compound dissolved in tap water | ChEMBL. | 1573642 |
| Plasma insulin (functional) | = 22 uUnits ml-1 | Decrease in plasma insulin(microUnits/mL)in male Wistar rats diabetic (D) group (number of rats = 11) where the diabetic state was induced by intravenous administration of streptozocin (STZ) at 60 mg/kg | ChEMBL. | 1573642 |
| Plasma insulin (functional) | = 35.6 uUnits ml-1 | Decrease in plasma insulin(microUnits/mL) of Male Wilstar ratsrecieved an equivalent volume of isotonic saline (C control group) | ChEMBL. | 1573642 |
| Plasma triglyceride (functional) | = 1.8 mM | Decrease in plasma triglyceride (mM) of Male Wilstar ratsrecieved an equivalent volume of isotonic saline (C control group) | ChEMBL. | 1573642 |
| Plasma triglyceride (functional) | = 1.9 mM | Decrease in plasma triglyceride (mM) in male Wistar rats diabetic treated (DT) group (number of rats = 12) which recieved compound dissolved in tap water | ChEMBL. | 1573642 |
| Plasma triglyceride (functional) | = 2.1 mM | Decrease in plasma triglyceride (mM) of male Wistar rats control treated (CT) group (number of rats = 11) which recieved compound dissolved in tap water | ChEMBL. | 1573642 |
| Plasma triglyceride (functional) | = 2.7 mM | Decrease in plasma triglyceride (mM)in male Wistar rats diabetic (D) group (number of rats = 11) where the diabetic state was induced by intravenous administration of streptozocin (STZ) at 60 mg/kg | ChEMBL. | 1573642 |
| Weight (functional) | = 311 g | Decrease weight(g) in male Wistar rats diabetic treated (DT) group (number of rats = 12) which recieved compound dissolved in tap water | ChEMBL. | 1573642 |
| Weight (functional) | = 349 g | Decrease in weight(g)in male Wistar rats diabetic (D) group (number of rats = 11) where the diabetic state was induced by intravenous administration of streptozocin (STZ) at 60 mg/kg | ChEMBL. | 1573642 |
| Weight (functional) | = 391 g | Decrease in weight of male Wistar rats control treated (CT) group (number of rats = 11) which recieved compound dissolved in tap water | ChEMBL. | 1573642 |
| Weight (functional) | = 404 g | Decrease in weight of Male Wilstar ratsrecieved an equivalent volume of isotonic saline (C control group) | ChEMBL. | 1573642 |
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.
Bibliographic References
1 literature reference was collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.