Detailed information for compound 1966918
Basic information
Technical information
- Name: Unnamed compound
- MW: 481.001 | Formula: C24H29ClO6S
-
H donors: 4
H acceptors: 4
LogP: 3.02
Rotable bonds: 8
Rule of 5 violations (Lipinski): 1 - SMILES: OC[C@H]1O[C@@H](c2ccc(c(c2)Cc2ccc(cc2)OCCC2CSC2)Cl)[C@@H]([C@H]([C@@H]1O)O)O
- InChi: 1S/C24H29ClO6S/c25-19-6-3-16(24-23(29)22(28)21(27)20(11-26)31-24)10-17(19)9-14-1-4-18(5-2-14)30-8-7-15-12-32-13-15/h1-6,10,15,20-24,26-29H,7-9,11-13H2/t20-,21-,22+,23-,24+/m1/s1
- InChiKey: MLTGVCSCOQZWEX-SJSRKZJXSA-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 |
|---|---|---|---|
| Homo sapiens | solute carrier family 5 (sodium/glucose cotransporter), member 2 | Starlite/ChEMBL | No references |
| Homo sapiens | solute carrier family 5 (sodium/glucose cotransporter), member 1 | Starlite/ChEMBL | No 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 |
|---|---|---|---|---|
| Echinococcus granulosus | solute carrier family 5 | 0.0363 | 0.5 | 0.5 |
| Echinococcus multilocularis | sodium:myo inositol cotransporter | 0.0363 | 0.5 | 0.5 |
| Echinococcus multilocularis | sodium:glucose cotransporter 2 | 0.0363 | 0.5 | 0.5 |
| Echinococcus granulosus | sodium:myo inositol cotransporter | 0.0363 | 0.5 | 0.5 |
| Echinococcus multilocularis | solute carrier family 5 | 0.0363 | 0.5 | 0.5 |
| Schistosoma mansoni | inositol transporter | 0.0363 | 0.5 | 0.5 |
| Echinococcus granulosus | sodium:glucose cotransporter 2 | 0.0363 | 0.5 | 0.5 |
| Schistosoma mansoni | inositol transporter | 0.0363 | 0.5 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (binding) | = 1302 nM | BindingDB_Patents: Uptake Assay. A cDNA clone expressing human SGLT1/SGLT2 was bought from GenerScript. Having the sequence information, it was built into pcDNA5 carrier by using traditional molecular biology methods, and then the expression plasmids were transfected into Flp-in CHO cells by using Lipofetamin 200 liposomal transfection method. The transfected cells were screened for hygromycin resistance, and the single-cell clone was screened out through the process of gradient dilution. Having obtained the single-cell clone, the uptake assay of 14C-AMG in FLP-in CHO cells stably expressing SGLT1/SGLT2 was evaluated.Cells were seeded at a density of 3x104 cells per well, uptake assay was carried out after adherent cells were cultured overnight. At least 12 hours later of culture, cells were washed once by 150 microliters per well of the absorption solution KRH-NMG (120 mM NMG, 4.7 mM KCl, 1.2 mM MgCl2, 2.2 mM CaCl2, 10 mM HEPES, pH 7.4 with HCl). To every well that was cleaned with buffer KRH-Na+ and KRH-NMG. | 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
No external resources registered for this compound
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.