Compound Detail
CHEMBL382340
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CCc1ccc(Cc2c[nH]c3cccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c23)cc1
Basic Information
| ChEMBL ID | CHEMBL382340 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FWPHIPHSHQVZAQ-DODNOZFWSA-N |
2
Targets
2
Activities
1
Assay Types
3
PK Parameters
3
Publications
0
Known Names
Molecular Properties
413.5
MW (Da)
1.50
ALogP
6
HBA
5
HBD
115.2
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 5.67 | 5.67 | 2140.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 823.63 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 61.0 | mL.min-1.kg-1 | Rattus norvegicus |
| T1/2 | 0.86 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 28.0 | nM | 7.55 | Inhibitory activity against SGLT2 expressed in CHO-K1 cells | 16380256 |
| Sodium/glucose cotransporter 1 | IC50 | = | 2140.0 | nM | 5.67 | Inhibitory activity against SGLT1 expressed in CHO-K1 cells | 16380256 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16380256 | 10.1016/j.bmcl.2005.12.006 | Rattus norvegicus | 4 |
| 16380256 | 10.1016/j.bmcl.2005.12.006 | Sodium/glucose cotransporter 2 | 1 |
| 16380256 | 10.1016/j.bmcl.2005.12.006 | Sodium/glucose cotransporter 1 | 1 |
Data from ChEMBL 36 via Core Engine