Compound Detail
CHEMBL567778
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CCOc1ccc(Cc2cc([C@@H]3OC(OCc4ccccc4)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL567778 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKEQDXYUUYYDDR-HKQFDGPLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
485.0
MW (Da)
4.03
ALogP
6
HBA
3
HBD
88.4
PSA (Ų)
0.45
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL1075302 | IC50 | 6.48 | 6.48 | 330.0 | 1 |
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 6.21 | 6.21 | 620.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 330.0 | nM | 6.48 | Inhibition of mouse SGLT2-mediated [14C]alpha-methylglucopyranoside uptake by ce... | 19785435 |
| Sodium/glucose cotransporter 2 | IC50 | = | 620.0 | nM | 6.21 | Inhibition of human SGLT2 expressed in HEK293 cells assessed as inhibition of [1... | 19785435 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19785435 | 10.1021/jm900951n | Sodium/glucose cotransporter 2 | 2 |
Data from ChEMBL 36 via Core Engine