Compound Detail
CHEMBL447016
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Cc1ccc(Cc2ccccc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Basic Information
| ChEMBL ID | CHEMBL447016 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJFAFCHMHLNMSX-OUUBHVDSSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
0.76
ALogP
6
HBA
4
HBD
99.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | EC50 | 8.1 | 8.1 | 8.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | EC50 | = | 8.0 | nM | 8.1 | Inhibition of human SGLT2 expressed in CHO cells assessed as intracellular accum... | 18707880 |
| Sodium/glucose cotransporter 2 | EC50 | = | 8.0 | nM | 8.1 | Inhibition of human SGLT2 expressed in CHO-K1 cells assessed as reduction in [14... | 21090651 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18707880 | 10.1016/j.bmcl.2008.07.109 | Sodium/glucose cotransporter 2 | 1 |
| 18707880 | 10.1016/j.bmcl.2008.07.109 | Unchecked | 1 |
| 21090651 | 10.1021/jm101080v | Sodium/glucose cotransporter 2 | 1 |
Data from ChEMBL 36 via Core Engine