Compound Detail
CHEMBL3818220
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O=C(CCCCCS)Nc1cc(CCC(=O)c2c(O)cc(O)cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O
Basic Information
| ChEMBL ID | CHEMBL3818220 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MVJVDLZNRAVRMQ-BYBMWWPSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
581.6
MW (Da)
1.23
ALogP
12
HBA
9
HBD
206.2
PSA (Ų)
0.07
QED
3
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL4316 | Kd | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | Kd | = | 200.0 | nM | 6.7 | Binding affinity to SGLT2 in isolated rat renal cortex brush border membranes us... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C5MD00572H | Sodium/glucose cotransporter 2 | 1 |
Data from ChEMBL 36 via Core Engine