Compound Detail
CHEMBL1090414
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COc1ccc(Cc2cc([C@@H]3OC4(COC4)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL1090414 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKQCCUQJDVKGGV-ZRNYENFQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
406.9
MW (Da)
1.86
ALogP
6
HBA
3
HBD
88.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 23.0 | nM | 7.64 | Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodiu... | 20149653 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20149653 | 10.1016/j.bmcl.2010.01.075 | Sodium/glucose cotransporter 2 | 1 |
| 20149653 | 10.1016/j.bmcl.2010.01.075 | Sodium/glucose cotransporter 1 | 1 |
Data from ChEMBL 36 via Core Engine