Compound Detail
CHEMBL1084166
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OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(-c4cccs4)nn3)c2)[C@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL1084166 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNDXATCNGDEQJU-RQXATKFSSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
448.9
MW (Da)
1.96
ALogP
8
HBA
4
HBD
115.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
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-D... | 20434909 |
| Sodium/glucose cotransporter 2 | IC50 | = | 71.4 | nM | 7.15 | Inhibition Assay: Inhibition assay using hSGLT2. | - |
| Sodium/glucose cotransporter 2 | IC50 | = | 71.4 | nM | 7.15 | Inhibition Assay: Inhibition assay using hSGLT2. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20434909 | 10.1016/j.bmcl.2010.04.006 | Sodium/glucose cotransporter 2 | 1 |
Data from ChEMBL 36 via Core Engine