Compound Detail
CHEMBL585477
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COc1ccc(Cc2cc3c(cc2Cl)CO[C@]32O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Basic Information
| ChEMBL ID | CHEMBL585477 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GUSJZELGWGXGII-ADAARDCZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
422.9
MW (Da)
1.10
ALogP
7
HBA
4
HBD
108.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 8.6 | 8.6 | 2.5 | 1 |
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 2.5 | nM | 8.6 | Inhibition of human SGLT2 transfected in HEK293.ETN cells assessed as AMG uptake... | 19896374 |
| Sodium/glucose cotransporter 1 | IC50 | = | 200.0 | nM | 6.7 | Inhibition of human SGLT1 transfected in COS-7 cells assessed as AMG uptake afte... | 19896374 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19896374 | 10.1016/j.bmcl.2009.10.088 | Sodium/glucose cotransporter 1 | 1 |
| 19896374 | 10.1016/j.bmcl.2009.10.088 | Sodium/glucose cotransporter 2 | 1 |
| 19896374 | 10.1016/j.bmcl.2009.10.088 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine