Detailed information for compound 1830130
Basic information
Technical information
- Name: Unnamed compound
- MW: 441.434 | Formula: C22H23N3O7
-
H donors: 3
H acceptors: 6
LogP: 1.93
Rotable bonds: 8
Rule of 5 violations (Lipinski): 1 - SMILES: CCOC(=O)c1nnn(c1[C@@H]([C@H]([C@@H](O)C)O)O)c1cc2oc3c(c2cc1OC)cccc3
- InChi: 1S/C22H23N3O7/c1-4-31-22(29)18-19(21(28)20(27)11(2)26)25(24-23-18)14-10-16-13(9-17(14)30-3)12-7-5-6-8-15(12)32-16/h5-11,20-21,26-28H,4H2,1-3H3/t11-,20-,21-/m0/s1
- InChiKey: SZVQDPNPYDVFCV-MWECQKEOSA-N
Network
Hover on a compound node to display the structore
Synonyms
No synonyms found for this compound
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | solute carrier family 5 (sodium/glucose cotransporter), member 1 | Starlite/ChEMBL | References |
| Homo sapiens | solute carrier family 5 (sodium/glucose cotransporter), member 2 | Starlite/ChEMBL | References |
Predicted pathogen targets for this compound
By orthology
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 | Steroid receptor seven-up type 2 | 0.0555 | 1 | 1 |
| Echinococcus multilocularis | sodium:glucose cotransporter 2 | 0.0363 | 0.2663 | 0.2663 |
| Schistosoma mansoni | retinoid-x-receptor (RXR) | 0.0555 | 1 | 1 |
| Echinococcus granulosus | Nuclear hormone receptor family member nhr 41 | 0.0555 | 1 | 1 |
| Schistosoma mansoni | thyroid hormone receptor | 0.0555 | 1 | 1 |
| Schistosoma mansoni | inositol transporter | 0.0363 | 0.2663 | 0.2663 |
| Brugia malayi | nuclear hormone receptor | 0.0555 | 1 | 1 |
| Onchocerca volvulus | 0.0555 | 1 | 0.5 | |
| Brugia malayi | Nuclear hormone receptor family member nhr-41 | 0.0555 | 1 | 1 |
| Echinococcus granulosus | sodium:glucose cotransporter 2 | 0.0363 | 0.2663 | 0.2663 |
| Brugia malayi | Nuclear hormone receptor family member nhr-25 | 0.0555 | 1 | 1 |
| Brugia malayi | Ligand-binding domain of nuclear hormone receptor family protein | 0.0555 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0555 | 1 | 1 |
| Schistosoma mansoni | Tr4/Tr2 (homologue) | 0.0555 | 1 | 1 |
| Onchocerca volvulus | Bile acid receptor homolog | 0.0555 | 1 | 0.5 |
| Echinococcus granulosus | nuclear receptor 2DBD gamma | 0.0555 | 1 | 1 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-40 | 0.0555 | 1 | 1 |
| Brugia malayi | photoreceptor-specific nuclear receptor | 0.0555 | 1 | 1 |
| Schistosoma mansoni | retinoic acid receptor RXR | 0.0555 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor-like 1 | 0.0555 | 1 | 1 |
| Echinococcus granulosus | sodium:glucose cotransporter | 0.0363 | 0.2663 | 0.2663 |
| Echinococcus granulosus | retinoic acid receptor rxr beta a | 0.0555 | 1 | 1 |
| Echinococcus multilocularis | nuclear receptor 2DBD gamma | 0.0555 | 1 | 1 |
| Brugia malayi | Ligand-binding domain of nuclear hormone receptor family protein | 0.0555 | 1 | 1 |
| Echinococcus granulosus | solute carrier family 5 | 0.0363 | 0.2663 | 0.2663 |
| Brugia malayi | Nuclear hormone receptor family member nhr-19 | 0.0555 | 1 | 1 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-41 | 0.0555 | 1 | 1 |
| Brugia malayi | nuclear receptor NHR-88 | 0.0555 | 1 | 1 |
| Echinococcus granulosus | FTZ F1 nuclear receptor protein | 0.0555 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-25 | 0.0555 | 1 | 1 |
| Schistosoma mansoni | nuclear receptor 2DBD-gamma | 0.0555 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-31 | 0.0555 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0555 | 1 | 1 |
| Loa Loa (eye worm) | nuclear Hormone Receptor family member | 0.0555 | 1 | 1 |
| Echinococcus multilocularis | COUP TF:Svp nuclear hormone receptor | 0.0555 | 1 | 1 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-49 | 0.0555 | 1 | 1 |
| Echinococcus multilocularis | Nuclear hormone receptor family member nhr 41 | 0.0555 | 1 | 1 |
| Echinococcus granulosus | ecdysone induced protein 78C | 0.0555 | 1 | 1 |
| Schistosoma mansoni | steroid hormone receptor ad4bp | 0.0555 | 1 | 1 |
| Schistosoma mansoni | RAR-like nuclear receptor | 0.0555 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-40 | 0.0555 | 1 | 1 |
| Echinococcus multilocularis | sodium:myo inositol cotransporter | 0.0363 | 0.2663 | 0.2663 |
| Loa Loa (eye worm) | hypothetical protein | 0.0555 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0555 | 1 | 1 |
| Echinococcus granulosus | sodium:myo inositol cotransporter | 0.0363 | 0.2663 | 0.2663 |
| Onchocerca volvulus | Steroid hormone receptor family member cnr14 homolog | 0.0555 | 1 | 0.5 |
| Onchocerca volvulus | Protein ultraspiracle homolog | 0.0555 | 1 | 0.5 |
| Schistosoma mansoni | coup transcription factor | 0.0555 | 1 | 1 |
| Echinococcus multilocularis | FTZ F1 alpha | 0.0555 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0555 | 1 | 1 |
| Echinococcus multilocularis | hepatocyte nuclear factor 4 alpha | 0.0555 | 1 | 1 |
| Schistosoma mansoni | nuclear hormone receptor | 0.0555 | 1 | 1 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-1 | 0.0555 | 1 | 1 |
| Echinococcus multilocularis | ecdysone induced protein 78C | 0.0555 | 1 | 1 |
| Echinococcus granulosus | COUP TF:Svp nuclear hormone receptor | 0.0555 | 1 | 1 |
| Schistosoma mansoni | FTZ-F1 nuclear receptor-like protein | 0.0555 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0555 | 1 | 1 |
| Echinococcus multilocularis | nuclear receptor 2DBD gamma | 0.0555 | 1 | 1 |
| Schistosoma mansoni | thyroid hormone receptor | 0.0555 | 1 | 1 |
| Brugia malayi | steroid hormone receptor | 0.0555 | 1 | 1 |
| Schistosoma mansoni | inositol transporter | 0.0363 | 0.2663 | 0.2663 |
| Loa Loa (eye worm) | hypothetical protein | 0.0555 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-14 | 0.0555 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0555 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-49 | 0.0555 | 1 | 1 |
| Schistosoma mansoni | photoreceptor-specific nuclear receptor related | 0.0555 | 1 | 1 |
| Loa Loa (eye worm) | steroid hormone receptor | 0.0555 | 1 | 1 |
| Echinococcus granulosus | nuclear receptor 2DBD gamma | 0.0555 | 1 | 1 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-31 | 0.0555 | 1 | 1 |
| Echinococcus multilocularis | FTZ F1 nuclear receptor protein | 0.0555 | 1 | 1 |
| Echinococcus multilocularis | solute carrier family 5 | 0.0363 | 0.2663 | 0.2663 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-14 | 0.0555 | 1 | 1 |
| Echinococcus granulosus | hepatocyte nuclear factor 4 alpha | 0.0555 | 1 | 1 |
| Echinococcus multilocularis | thyroid hormone receptor alpha | 0.0555 | 1 | 1 |
| Schistosoma mansoni | nuclear hormone receptor nor-1/nor-2 | 0.0555 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-3 | 0.0555 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-19 | 0.0555 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-1 | 0.0555 | 1 | 1 |
| Echinococcus granulosus | FTZ F1 alpha | 0.0555 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (binding) | = 227 nM | Inhibition of SGLT2 (unknown origin) expressed in HEK293 cells using 2-NBDG as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by nonradioactive fluorescence glucose uptake assay | ChEMBL. | 24556379 |
| IC50 (binding) | = 626.2 nM | Inhibition of SGLT1 (unknown origin) expressed in HEK293 cells using 2-NBDG as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by nonradioactive fluorescence glucose uptake assay | ChEMBL. | 24556379 |
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: CHEMBL3125149
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.