Compound Detail
CHEMBL3125150
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CCOc1ccc(Cc2cc([C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL3125150 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCEUTZKYUQXUCF-JLBFBPAZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
392.9
MW (Da)
2.87
ALogP
5
HBA
3
HBD
79.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 9.17 | 9.17 | 0.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 0.67 | nM | 9.17 | Inhibition of human SGLT2 | 24556379 |
| Sodium/glucose cotransporter 2 | IC50 | = | 0.67 | nM | 9.17 | Inhibition of human SGLT2 | 31630053 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24556379 | 10.1016/j.bmcl.2014.01.077 | Sodium/glucose cotransporter 2 | 1 |
| 31630053 | 10.1016/j.ejmech.2019.111773 | Sodium/glucose cotransporter 2 | 1 |
Data from ChEMBL 36 via Core Engine