Compound Detail
CHEMBL1819492
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CSc1ccc(Cc2ccccc2O[C@@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Basic Information
| ChEMBL ID | CHEMBL1819492 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWLRPHUUXHUFKI-WIGAVFHRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
390.5
MW (Da)
1.84
ALogP
6
HBA
4
HBD
90.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 19.0 | nM | 7.72 | Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]AMG uptake aft... | 21873071 |
| Sodium/glucose cotransporter 1 | IC50 | = | 3500.0 | nM | 5.46 | Inhibition of human SGLT1 expressed in CHO cells assessed as [14C]AMG uptake aft... | 21873071 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21873071 | 10.1016/j.bmc.2011.08.005 | Sodium/glucose cotransporter 2 | 1 |
| 21873071 | 10.1016/j.bmc.2011.08.005 | Sodium/glucose cotransporter 1 | 1 |
| 21873071 | 10.1016/j.bmc.2011.08.005 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine