Compound Detail
CHEMBL5288495
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CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)C(F)(F)[C@H](O)[C@H]3O)ccc2Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL5288495 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNHUKCXDFRUWSK-FUMNGEBKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
412.9
MW (Da)
3.28
ALogP
4
HBA
3
HBD
69.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 9.46 | 9.46 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 0.35 | nM | 9.46 | Inhibition of human SGLT2 | 32717480 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32717480 | 10.1016/j.ejmech.2020.112523 | Sodium/glucose cotransporter 2 | 1 |
Data from ChEMBL 36 via Core Engine