Compound Detail
CHEMBL3950588
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CCc1ccc(Cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)n[nH]c2C)cc1
Basic Information
| ChEMBL ID | CHEMBL3950588 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GBVDTKXHUHCPPZ-ILYVXUQDSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
378.4
MW (Da)
0.05
ALogP
7
HBA
5
HBD
128.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 8.41 | 7.565 | 3.9 | 2 |
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 6.63 | 6.63 | 233.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 3.9 | nM | 8.41 | Inhibition of human SGLT2 expressed in COS7 cells assessed as reduction in [14C]... | 33581390 |
| Sodium/glucose cotransporter 2 | IC50 | = | 190.0 | nM | 6.72 | Inhibition of human SGLT2 expressed in COS7 cells assessed as reduction in uptak... | - |
| Sodium/glucose cotransporter 1 | IC50 | = | 233.0 | nM | 6.63 | Inhibition of human SGLT1 expressed in COS7 cells assessed as reduction in [14C]... | 33581390 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33581390 | 10.1016/j.bmc.2021.116033 | Sodium/glucose cotransporter 2 | 1 |
| 33581390 | 10.1016/j.bmc.2021.116033 | Sodium/glucose cotransporter 1 | 1 |
| 33581390 | 10.1016/j.bmc.2021.116033 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine