Compound Detail
CHEMBL497971
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OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL497971 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODQAIMBPQWETBE-FQBWVUSXSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
380.8
MW (Da)
1.15
ALogP
6
HBA
5
HBD
110.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 8.03 | 7.755 | 9.4 | 2 |
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 6.01 | 6.01 | 970.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 9.4 | nM | 8.03 | Inhibition of human SGLT2 expressed in african green monkey COS7 cells assessed ... | 21737266 |
| Sodium/glucose cotransporter 2 | IC50 | = | 33.0 | nM | 7.48 | Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]alpha-methyl-D... | 18755586 |
| Sodium/glucose cotransporter 1 | IC50 | = | 970.0 | nM | 6.01 | Inhibition of human SGLT1 expressed in human 293 cells assessed as inhibition of... | 21737266 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18755586 | 10.1016/j.bmcl.2008.08.036 | Sodium/glucose cotransporter 2 | 1 |
| 21737266 | 10.1016/j.bmcl.2011.06.032 | Sodium/glucose cotransporter 1 | 1 |
| 21737266 | 10.1016/j.bmcl.2011.06.032 | Sodium/glucose cotransporter 2 | 1 |
| 21737266 | 10.1016/j.bmcl.2011.06.032 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine