Compound Detail
CHEMBL486461
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Cc1ccc(Sc2cccc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL486461 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRTBCGCHSYCNOS-FQBWVUSXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
362.4
MW (Da)
1.66
ALogP
6
HBA
4
HBD
90.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | EC50 | 7.16 | 7.16 | 69.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | EC50 | = | 69.0 | nM | 7.16 | Inhibition of human SGLT2 expressed in CHO cells assessed as intracellular accum... | 18707880 |
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 |
Data from ChEMBL 36 via Core Engine