Compound Detail
CHEMBL3966902
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Cc1ccc(C23OC[C@@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1Cc1ccc(-c2ccc(F)cc2)s1
Basic Information
| ChEMBL ID | CHEMBL3966902 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMWMRLJSWBOCQA-ILRLDQMXSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
472.5
MW (Da)
2.48
ALogP
7
HBA
4
HBD
99.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL1075302 | IC50 | 8.03 | 8.03 | 9.3 | 1 |
| SGLT1 protein CHEMBL1744523 | IC50 | 5.9 | 5.9 | 1260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 9.28 | nM | 8.03 | Inhibition Assay: Inhibitory activity of the compounds using SGLT1 and SGLT2. | - |
| SGLT1 protein | IC50 | = | 1260.0 | nM | 5.9 | Inhibition Assay: Inhibitory activity of the compounds using SGLT1 and SGLT2. | - |
Data from ChEMBL 36 via Core Engine