Compound Detail
CHEMBL567954
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CCOc1ccc(Cc2cc([C@@H]3OC(OCCN(C)C)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL567954 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKPQPDAOEGXSIR-SFGZKKEESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
466.0
MW (Da)
2.39
ALogP
7
HBA
3
HBD
91.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL1075302 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of mouse SGLT2-mediated [14C]alpha-methylglucopyranoside uptake by ce... | 19785435 |
| Sodium/glucose cotransporter 2 | IC50 | = | 3600.0 | nM | 5.44 | 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