Compound Detail
CHEMBL1770249
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CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@@H]4O)ccc2Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL1770249 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCIACXAZCBVDEE-YFNVTMOMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
436.9
MW (Da)
1.36
ALogP
7
HBA
4
HBD
108.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 7.05 | 7.05 | 89.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 89.9 | nM | 7.05 | Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of methy... | 21449606 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21449606 | 10.1021/jm200049r | Sodium/glucose cotransporter 1 | 1 |
| 21449606 | 10.1021/jm200049r | Sodium/glucose cotransporter 2 | 1 |
| 21449606 | 10.1021/jm200049r | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine