Compound Detail
CHEMBL2018081
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CCc1ccc(Cc2cncc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)n2)cc1
Basic Information
| ChEMBL ID | CHEMBL2018081 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QPCNMJLAASYHMY-FQBWVUSXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
0.14
ALogP
7
HBA
4
HBD
115.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 4900.0 | nM | 5.31 | Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]AMG accumulati... | 22507206 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22507206 | 10.1016/j.bmc.2012.03.051 | Sodium/glucose cotransporter 2 | 1 |
| 22507206 | 10.1016/j.bmc.2012.03.051 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine