Compound Detail
CHEMBL1086408
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CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2C)cc1
Basic Information
| ChEMBL ID | CHEMBL1086408 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IOUMMDDMHYSAMP-BDHVOXNPSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
372.5
MW (Da)
1.66
ALogP
5
HBA
4
HBD
90.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.92
IC50 1 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
| Sodium/glucose cotransporter 2 CHEMBL3884 | EC50 | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 1.5 | nM | 8.82 | Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodiu... | 20149653 |
| Sodium/glucose cotransporter 2 | EC50 | = | 12.0 | nM | 7.92 | Inhibition of human SGLT2 expressed in CHO-K1 cells assessed as reduction in [14... | 21090651 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20149653 | 10.1016/j.bmcl.2010.01.075 | Sodium/glucose cotransporter 2 | 1 |
| 21090651 | 10.1021/jm101080v | Sodium/glucose cotransporter 2 | 1 |
Data from ChEMBL 36 via Core Engine