Compound Detail
CHEMBL2018090
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OC[C@H]1O[C@@H](c2cc(Cc3cc4ccccc4s3)ccc2O)[C@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL2018090 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VOWXKGDLMDOVCK-RQXATKFSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
402.5
MW (Da)
1.71
ALogP
7
HBA
5
HBD
110.4
PSA (Ų)
0.45
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 8.01 | 8.01 | 9.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 9.8 | nM | 8.01 | Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]AMG accumulati... | 22507206 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29764742 | 10.1016/j.bmcl.2018.04.070 | Sodium/glucose cotransporter 2 | 2 |
| 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