Detailed information for compound 304423
Basic information
Technical information
- TDR Targets ID: 304423
- Name: 2-(3,4-dihydroxyphenyl)ethyl-dimethylselanium chloride
- MW: 281.638 | Formula: C10H15ClO2Se
-
H donors: 2
H acceptors: 2
LogP: 4
Rotable bonds: 3
Rule of 5 violations (Lipinski): 1 - SMILES: C[Se+](CCc1ccc(c(c1)O)O)C.[Cl-]
- InChi: 1S/C10H14O2Se.ClH/c1-13(2)6-5-8-3-4-9(11)10(12)7-8;/h3-4,7H,5-6H2,1-2H3,(H-,11,12);1H
- InChiKey: DMKOVGLFTWXVML-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 2-(3,4-dihydroxyphenyl)ethyl-dimethyl-selenonium chloride
- 2-(3,4-dihydroxyphenyl)ethyl-dimethylselenonium chloride
- 2-(3,4-dihydroxyphenyl)ethyl-dimethyl-selanium chloride
- (2 (3,4-dihydroxyphenyl)ethyl)dimethylselenonium
- 85709-88-2
- (2-(3,4-Dihydroxyphenyl)ethyl)-dimethylselenonium chloride
- 2-Dhpeds
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 |
|---|---|---|---|---|
| Echinococcus granulosus | glutamate receptor ionotrophic AMPA 3 | 0.019 | 0.3174 | 0.3174 |
| Echinococcus granulosus | glutamate receptor ionotropic kainate 3 | 0.0186 | 0.2969 | 0.2969 |
| Echinococcus multilocularis | glutamate receptor, ionotrophic, AMPA 3 | 0.019 | 0.3174 | 0.3174 |
| Echinococcus multilocularis | glutamate receptor 2 | 0.019 | 0.3174 | 0.3174 |
| Echinococcus multilocularis | glutamate (NMDA) receptor subunit | 0.016 | 0.1547 | 0.1547 |
| Echinococcus multilocularis | NMDA receptor | 0.0186 | 0.2969 | 0.2969 |
| Echinococcus multilocularis | Glutamate receptor, ionotropic kainate 2 | 0.0317 | 1 | 1 |
| Loa Loa (eye worm) | glutamate receptor 2 | 0.016 | 0.1547 | 0.5 |
| Echinococcus multilocularis | Glutamate receptor, ionotropic kainate 3 | 0.0209 | 0.4203 | 0.4203 |
| Schistosoma mansoni | glutamate receptor kainate | 0.0287 | 0.8373 | 1 |
| Echinococcus multilocularis | Glutamate receptor, ionotropic kainate 2 | 0.0317 | 1 | 1 |
| Schistosoma mansoni | glutamate receptor NMDA | 0.019 | 0.3174 | 0.2384 |
| Echinococcus multilocularis | Glutamate receptor, ionotropic kainate 2 | 0.0317 | 1 | 1 |
| Brugia malayi | Glutamate receptor 1 precursor | 0.016 | 0.1547 | 0.5 |
| Echinococcus granulosus | Glutamate receptor ionotropic kainate 2 | 0.0317 | 1 | 1 |
| Echinococcus granulosus | glutamate NMDA receptor subunit | 0.016 | 0.1547 | 0.1547 |
| Echinococcus multilocularis | glutamate receptor 2 | 0.016 | 0.1547 | 0.1547 |
| Echinococcus granulosus | Glutamate receptor ionotropic kainate 2 | 0.0317 | 1 | 1 |
| Echinococcus granulosus | glutamate receptor ionotropic kainate | 0.0186 | 0.2969 | 0.2969 |
| Schistosoma mansoni | glutamate receptor kainate | 0.0287 | 0.8373 | 1 |
| Echinococcus multilocularis | glutamate receptor ionotropic kainate | 0.0186 | 0.2969 | 0.2969 |
| Echinococcus granulosus | glutamate receptor 2 | 0.019 | 0.3174 | 0.3174 |
| Loa Loa (eye worm) | glutamate receptor 1 | 0.016 | 0.1547 | 0.5 |
| Brugia malayi | Glutamate receptor 2 precursor | 0.016 | 0.1547 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Dose/g (ADMET) | = 0 % | Distribution of Se-75 activity in Brain of female Sprague-Dawley Rat 120 min after iv administration of compound | ChEMBL. | 6864735 |
| Dose/g (ADMET) | = 0 % | Distribution of Se-75 activity in Brain of female Sprague-Dawley Rat 240 min after iv administration of compound | ChEMBL. | 6864735 |
| Dose/g (ADMET) | = 0.01 % | Distribution of Se-75 activity in Brain of female Sprague-Dawley Rat 15 min after iv administration of compound | ChEMBL. | 6864735 |
| Dose/g (ADMET) | = 0.01 % | Distribution of Se-75 activity in Brain of female Sprague-Dawley Rat 30 min after iv administration of compound | ChEMBL. | 6864735 |
| Dose/g (ADMET) | = 0.01 % | Distribution of Se-75 activity in Brain of female Sprague-Dawley Rat 60 min after iv administration of compound | ChEMBL. | 6864735 |
| Dose/g (ADMET) | = 0.02 % | Distribution of Se-75 activity in Brain of female Sprague-Dawley Rat 5 min after iv administration of compound | ChEMBL. | 6864735 |
| Dose/g (ADMET) | = 0.05 % | Distribution of Se-75 activity in blood of female Sprague-Dawley Rat 240 min after iv administration of compound | ChEMBL. | 6864735 |
| Dose/g (ADMET) | = 0.08 % | Distribution of Se-75 activity in blood of female Sprague-Dawley Rat 120 min after iv administration compound | ChEMBL. | 6864735 |
| Dose/g (ADMET) | = 0.09 % | Distribution of Se-75 activity in Lung of female Sprague-Dawley Rat 240 min after iv administration of compound | ChEMBL. | 6864735 |
| Dose/g (ADMET) | = 0.16 % | Distribution of Se-75 activity in Heart of female Sprague-Dawley Rat 240 min after iv administration of dose 5 uCi/0.2 mL | ChEMBL. | 6864735 |
| Dose/g (ADMET) | = 0.18 % | Distribution of Se-75 activity in blood of female Sprague-Dawley Rat 60 min after iv administration of compound | ChEMBL. | 6864735 |
| Dose/g (ADMET) | = 0.18 % | Distribution of Se-75 activity in Kidney of female Sprague-Dawley Rat 240 min after iv administration of compound | ChEMBL. | 6864735 |
| Dose/g (ADMET) | = 0.2 % | Distribution of Se-75 activity in Lung of female Sprague-Dawley Rat 120 min after iv administration of compound | ChEMBL. | 6864735 |
| Dose/g (ADMET) | = 0.21 % | Distribution of Se-75 activity in Heart of female Sprague-Dawley Rat 120 min after iv administration of compound | ChEMBL. | 6864735 |
| Dose/g (ADMET) | = 0.23 % | Distribution of Se-75 activity in Liver of female Sprague-Dawley Rat 240 min after iv administration of compound | ChEMBL. | 6864735 |
| Dose/g (ADMET) | = 0.28 % | Distribution of Se-75 activity in blood of female Sprague-Dawley Rat 30 min after iv administration of compound | ChEMBL. | 6864735 |
| Dose/g (ADMET) | = 0.29 % | Distribution of Se-75 activity in Kidney of female Sprague-Dawley Rat 120 min after iv administration of compound | ChEMBL. | 6864735 |
| Dose/g (ADMET) | = 0.3 % | Distribution of Se-75 activity in blood of female Sprague-Dawley Rat 15 min after iv administration of compound | ChEMBL. | 6864735 |
| Dose/g (ADMET) | = 0.32 % | Distribution of Se-75 activity in Liver of female Sprague-Dawley Rat 120 min after iv administration of compound | ChEMBL. | 6864735 |
| Dose/g (ADMET) | = 0.35 % | Distribution of Se-75 activity in blood of female Sprague-Dawley Rat 5 min after iv administration of compound | ChEMBL. | 6864735 |
| Dose/g (ADMET) | = 0.46 % | Distribution of Se-75 activity in Heart of female Sprague-Dawley Rat 60 min after iv administration of compound | ChEMBL. | 6864735 |
| Dose/g (ADMET) | = 0.58 % | Distribution of Se-75 activity in Lung of female Sprague-Dawley Rat 60 min after iv administration of compound | ChEMBL. | 6864735 |
| Dose/g (ADMET) | = 0.59 % | Distribution of Se-75 activity in Adrenal of female Sprague-Dawley Rat 240 min after iv administration of compound | ChEMBL. | 6864735 |
| Dose/g (ADMET) | = 0.59 % | Distribution of Se-75 activity in Kidneyof female Sprague-Dawley Rat 60 min after iv administration of compound | ChEMBL. | 6864735 |
| Dose/g (ADMET) | = 0.73 % | Distribution of Se-75 activity in Adrenal of female Sprague-Dawley Rat 120 min after iv administration of compound | ChEMBL. | 6864735 |
| Dose/g (ADMET) | = 0.78 % | Distribution of Se-75 activity in Adrenal of female Sprague-Dawley Rat 5 min after iv administration of compound | ChEMBL. | 6864735 |
| Dose/g (ADMET) | = 0.8 % | Distribution of Se-75 activity in Liver of female Sprague-Dawley Rat 60 min after iv administration of compound | ChEMBL. | 6864735 |
| Dose/g (ADMET) | = 0.83 % | Distribution of Se-75 activity in Lung of female Sprague-Dawley Rat 30 min after iv administration of compound | ChEMBL. | 6864735 |
| Dose/g (ADMET) | = 0.86 % | Distribution of Se-75 activity in Adrenal of female Sprague-Dawley Rat 30 min after iv administration of compound | ChEMBL. | 6864735 |
| Dose/g (ADMET) | = 0.87 % | Distribution of Se-75 activity in Adrenal of female Sprague-Dawley Rat 15 after iv administration of compound | ChEMBL. | 6864735 |
| Dose/g (ADMET) | = 0.87 % | Distribution of Se-75 activity in Adrenal of female Sprague-Dawley Rat 60 min after iv administration of compound | ChEMBL. | 6864735 |
| Dose/g (ADMET) | = 1.07 % | Distribution of Se-75 activity in Kidneyof female Sprague-Dawley Rat 15 min after iv administration of compound | ChEMBL. | 6864735 |
| Dose/g (ADMET) | = 1.07 % | Distribution of Se-75 activity in Kidneyof female Sprague-Dawley Rat 30 min after iv administration of compound | ChEMBL. | 6864735 |
| Dose/g (ADMET) | = 1.08 % | Distribution of Se-75 activity in Heart of female Sprague-Dawley Rat 30 min after iv administration of compound | ChEMBL. | 6864735 |
| Dose/g (ADMET) | = 1.14 % | Distribution of Se-75 activity in Lung of female Sprague-Dawley Rat 15 min after iv administration of compound | ChEMBL. | 6864735 |
| Dose/g (ADMET) | = 1.25 % | Distribution of Se-75 activity in Lung of female Sprague-Dawley Rat 5 min after iv administration of compound | ChEMBL. | 6864735 |
| Dose/g (ADMET) | = 1.58 % | Distribution of Se-75 activity in Heart of female Sprague-Dawley Rat 15 min after iv administration of compound | ChEMBL. | 6864735 |
| Dose/g (ADMET) | = 1.86 % | Distribution of Se-75 activity in Liver of female Sprague-Dawley Rat 5 min after iv administration of compound | ChEMBL. | 6864735 |
| Dose/g (ADMET) | = 2 % | Distribution of Se-75 activity in Liver of female Sprague-Dawley Rat 15 min after iv administration of compound | ChEMBL. | 6864735 |
| Dose/g (ADMET) | = 2.37 % | Distribution of Se-75 activity in Heart of female Sprague-Dawley Rat 5 min after iv administration of compound | ChEMBL. | 6864735 |
| Dose/g (ADMET) | = 2.65 % | Distribution of Se-75 activity in Kidneyof female Sprague-Dawley Rat 5 min after iv administration of compound | ChEMBL. | 6864735 |
| Dose/g (ADMET) | = 2.73 % | Distribution of Se-75 activity in Liver of female Sprague-Dawley Rat 30 min after iv administration of compound | ChEMBL. | 6864735 |
| Ratio (ADMET) | = 0.29 | Tissue radioactivity ratio of the compound in adrenal to Kidney 5 min after Intravenous Injection in rats | ChEMBL. | 6864735 |
| Ratio (ADMET) | = 0.31 | Tissue radioactivity ratio of the compound in adrenal to Liver 30 min after Intravenous Injection in rats | ChEMBL. | 6864735 |
| Ratio (ADMET) | = 0.42 | Tissue radioactivity ratio of the compound in adrenal to Liver 5 min after Intravenous Injection in rats | ChEMBL. | 6864735 |
| Ratio (ADMET) | = 0.43 | Tissue radioactivity ratio of the compound in adrenal to Liver 15 min after Intravenous Injection in rats | ChEMBL. | 6864735 |
| Ratio (ADMET) | = 0.81 | Tissue radioactivity ratio of the compound in adrenal to Kidney 15 min after Intravenous Injection in rats | ChEMBL. | 6864735 |
| Ratio (ADMET) | = 0.81 | Tissue radioactivity ratio of the compound in adrenal to Kidney 30 min after Intravenous Injection in rats | ChEMBL. | 6864735 |
| Ratio (ADMET) | = 1.04 | Tissue radioactivity ratio of the compound in adrenal to Liver 60 min after Intravenous Injection in rats | ChEMBL. | 6864735 |
| Ratio (ADMET) | = 1.47 | Tissue radioactivity ratio of the compound in adrenal to Kidney 60 min after Intravenous Injection in rats | ChEMBL. | 6864735 |
| Ratio (ADMET) | = 2.22 | Tissue radioactivity ratio of the compound in adrenal to blood 5 min after Intravenous Injection in rats | ChEMBL. | 6864735 |
| Ratio (ADMET) | = 2.28 | Tissue radioactivity ratio of the compound in adrenal to Liver 120 min after Intravenous Injection in rats | ChEMBL. | 6864735 |
| Ratio (ADMET) | = 2.52 | Tissue radioactivity ratio of the compound in adrenal to Kidney 120 min after Intravenous Injection in rats | ChEMBL. | 6864735 |
| Ratio (ADMET) | = 2.55 | Tissue radioactivity ratio of the compound in Heart to Blood 60 min after Intravenous Injection in rats | ChEMBL. | 6864735 |
| Ratio (ADMET) | = 2.56 | Tissue radioactivity ratio of the compound in adrenal to Liver 240 min after Intravenous Injection in rats | ChEMBL. | 6864735 |
| Ratio (ADMET) | = 2.62 | Tissue radioactivity ratio of the compound in Heart to Blood 120 min after Intravenous Injection in rats | ChEMBL. | 6864735 |
| Ratio (ADMET) | = 2.9 | Tissue radioactivity ratio of the compound in adrenal to blood 15 min after Intravenous Injection in rats | ChEMBL. | 6864735 |
| Ratio (ADMET) | = 3.07 | Tissue radioactivity ratio of the compound in adrenal to blood 30 min after Intravenous Injection in rats | ChEMBL. | 6864735 |
| Ratio (ADMET) | = 3.2 | Tissue radioactivity ratio of the compound in Heart to Blood 240 min after Intravenous Injection in rats | ChEMBL. | 6864735 |
| Ratio (ADMET) | = 3.28 | Tissue radioactivity ratio of the compound in adrenal to Kidney 240 min after Intravenous Injection in rats | ChEMBL. | 6864735 |
| Ratio (ADMET) | = 3.86 | Tissue radioactivity ratio of the compound in Heart to Blood 30 min after Intravenous Injection in rats | ChEMBL. | 6864735 |
| Ratio (ADMET) | = 4.83 | Tissue radioactivity ratio of the compound in adrenal to blood 60 min after Intravenous Injection in rats | ChEMBL. | 6864735 |
| Ratio (ADMET) | = 5.27 | Tissue radioactivity ratio of the compound in Heart to Blood 15 min after Intravenous Injection in rats | ChEMBL. | 6864735 |
| Ratio (ADMET) | = 6.77 | Tissue radioactivity ratio of the compound in Heart to Blood 5 min after Intravenous Injection in rats | ChEMBL. | 6864735 |
| Ratio (ADMET) | = 9.12 | Tissue radioactivity ratio of the compound in adrenal to blood 120 min after Intravenous Injection in rats | ChEMBL. | 6864735 |
| Ratio (ADMET) | = 11.8 | Tissue radioactivity ratio of the compound in adrenal to blood 240 min after Intravenous Injection in rats | ChEMBL. | 6864735 |
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
- Search by CAS
- ChEMBL: CHEMBL366676
- PubChem: 135092
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.