Compound Detail
CHEMBL2048489
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CCc1ccc(Cc2cc([C@]3(O)C[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2OC)cc1
Basic Information
| ChEMBL ID | CHEMBL2048489 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ADAINMOCVZQXHL-LDBVRRDLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
402.5
MW (Da)
1.13
ALogP
6
HBA
5
HBD
110.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 4.51 | 4.51 | 31000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of human SGLT2 expressed in CHO-K1 cells by [14C]AMG uptake assay | 22652255 |
| Sodium/glucose cotransporter 1 | IC50 | = | 31000.0 | nM | 4.51 | Inhibition of human SGLT1 expressed in CHO-K1 cells by [14C]AMG uptake assay | 22652255 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22652255 | 10.1016/j.bmc.2012.04.053 | Cytochrome P450 3A4 | 3 |
| 22652255 | 10.1016/j.bmc.2012.04.053 | Sodium/glucose cotransporter 2 | 1 |
| 22652255 | 10.1016/j.bmc.2012.04.053 | Sodium/glucose cotransporter 1 | 1 |
| 22652255 | 10.1016/j.bmc.2012.04.053 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine