Compound Detail
CHEMBL445247
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O=C(NCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1
Basic Information
| ChEMBL ID | CHEMBL445247 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXLGDEIOPDBGJB-RZJQWKCISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
752.2
MW (Da)
4.66
ALogP
10
HBA
7
HBD
207.0
PSA (Ų)
0.10
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]alpha-methyl-D... | 18755586 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18755586 | 10.1016/j.bmcl.2008.08.036 | Sodium/glucose cotransporter 2 | 1 |
Data from ChEMBL 36 via Core Engine