Compound Detail
CHEMBL570868
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CCOc1ccc(Cc2ccc3c(c2)[C@]2(OC3)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Basic Information
| ChEMBL ID | CHEMBL570868 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTQZWEARHDHMMW-BDHVOXNPSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
402.4
MW (Da)
0.83
ALogP
7
HBA
4
HBD
108.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 8.02 | 7.585 | 9.6 | 2 |
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 5.0 | 4.865 | 10000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 9.6 | nM | 8.02 | Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodiu... | 22889351 |
| Sodium/glucose cotransporter 2 | IC50 | = | 71.0 | nM | 7.15 | Inhibition of human SGLT2 transfected in HEK293.ETN cells assessed as AMG uptake... | 19896374 |
| Sodium/glucose cotransporter 1 | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of human SGLT1 transfected in COS-7 cells assessed as AMG uptake afte... | 19896374 |
| Sodium/glucose cotransporter 1 | IC50 | = | 18745.0 | nM | 4.73 | Inhibition of human SGLT1 expressed in CHO cells assessed as inhibition of sodiu... | 22889351 |
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 |
| 22889351 | 10.1021/jm300884k | Unchecked | 1 |
| 22889351 | 10.1021/jm300884k | Sodium/glucose cotransporter 1 | 1 |
| 22889351 | 10.1021/jm300884k | Sodium/glucose cotransporter 2 | 1 |
Data from ChEMBL 36 via Core Engine