Compound Detail
CHEMBL565781
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OC[C@H]1O[C@]2(OCc3cc(Cl)c(Cc4ccc(OC(F)(F)F)cc4)cc32)[C@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL565781 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DFJTUSPBDWHFKT-OBKDMQGPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
476.8
MW (Da)
1.99
ALogP
7
HBA
4
HBD
108.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 0.3 | nM | 9.52 | Inhibition of human SGLT2 transfected in HEK293.ETN cells assessed as AMG uptake... | 19896374 |
| Sodium/glucose cotransporter 1 | IC50 | = | 3100.0 | nM | 5.51 | Inhibition of human SGLT1 transfected in COS-7 cells assessed as AMG uptake afte... | 19896374 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19896374 | 10.1016/j.bmcl.2009.10.088 | Sodium/glucose cotransporter 1 | 1 |
| 19896374 | 10.1016/j.bmcl.2009.10.088 | Sodium/glucose cotransporter 2 | 1 |
| 19896374 | 10.1016/j.bmcl.2009.10.088 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine