Compound Detail
CHEMBL1085771
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CSc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)nn1
Basic Information
| ChEMBL ID | CHEMBL1085771 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PGJWOQDXCJJPBN-LHKMKVQPSA-N |
1
Targets
3
Activities
1
Assay Types
3
PK Parameters
2
Publications
0
Known Names
Molecular Properties
412.9
MW (Da)
0.96
ALogP
8
HBA
4
HBD
115.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 7.87 | 7.87 | 13.4 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 750.79 | nM | Rattus norvegicus |
| F | 26.1 | % | Rattus norvegicus |
| T1/2 | 1.94 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 13.4 | nM | 7.87 | Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]alpha-methyl-D... | 20434909 |
| Sodium/glucose cotransporter 2 | IC50 | = | 13.4 | nM | 7.87 | Inhibition Assay: Inhibition assay using hSGLT2. | - |
| Sodium/glucose cotransporter 2 | IC50 | = | 13.4 | nM | 7.87 | Inhibition Assay: Inhibition assay using hSGLT2. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20434909 | 10.1016/j.bmcl.2010.04.006 | Rattus norvegicus | 7 |
| 20434909 | 10.1016/j.bmcl.2010.04.006 | Sodium/glucose cotransporter 2 | 1 |
Data from ChEMBL 36 via Core Engine