Compound Detail
CHEMBL1808389
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OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(OCCOC4CCC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL1808389 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GEKMJNUTSMVHIA-RXFVIIJJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
479.0
MW (Da)
2.39
ALogP
7
HBA
4
HBD
108.6
PSA (Ų)
0.41
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 4.42 | 4.42 | 38000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of human SGLT2 expressed in african green monkey COS7 cells assessed ... | 21737266 |
| Sodium/glucose cotransporter 1 | IC50 | = | 38000.0 | nM | 4.42 | Inhibition of human SGLT1 expressed in human 293 cells assessed as inhibition of... | 21737266 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21737266 | 10.1016/j.bmcl.2011.06.032 | Unchecked | 1 |
| 21737266 | 10.1016/j.bmcl.2011.06.032 | Sodium/glucose cotransporter 1 | 1 |
| 21737266 | 10.1016/j.bmcl.2011.06.032 | Sodium/glucose cotransporter 2 | 1 |
Data from ChEMBL 36 via Core Engine