Compound Detail
CHEMBL1829081
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CCOc1ccc(Cc2sc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2C)cc1
Basic Information
| ChEMBL ID | CHEMBL1829081 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MBTYCWPMPCMIAK-QSWMPLQWSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
1.56
ALogP
7
HBA
4
HBD
99.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 7.15 | 7.15 | 71.4 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 71.4 | nM | 7.15 | Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-... | 21906953 |
| Sodium/glucose cotransporter 2 | IC50 | = | 71.4 | nM | 7.15 | In Vitro Assay: For sodium-dependent glucose transport assay, cells expressing h... | - |
| Sodium/glucose cotransporter 2 | IC50 | = | 71.4 | nM | 7.15 | In Vitro Assay: For sodium-dependent glucose transport assay, cells expressing h... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21906953 | 10.1016/j.bmc.2011.08.014 | Sodium/glucose cotransporter 2 | 1 |
Data from ChEMBL 36 via Core Engine