Compound Detail
CHEMBL1213936
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CCCCc1ccc(Cc2nc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)sc2Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL1213936 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUFBLLMWNQSVAQ-UYTYNIKBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
427.9
MW (Da)
2.24
ALogP
7
HBA
4
HBD
103.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 6.6 | 6.6 | 251.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 251.0 | nM | 6.6 | Inhibition of human SGLT2 | 20637636 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20637636 | 10.1016/j.bmc.2010.06.076 | Sodium/glucose cotransporter 2 | 1 |
Data from ChEMBL 36 via Core Engine