Compound Detail
CHEMBL4101799
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O[C@@H]1[C@@H](O)[C@@]2(c3ccc(Cl)c(Cc4ccc(OCCOC5CC5)cc4)c3)OC[C@](OC(F)F)(O2)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL4101799 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GAXNLFIBLXVNHM-MBIDVBTESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
528.9
MW (Da)
2.72
ALogP
8
HBA
3
HBD
106.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 8.23 | 8.23 | 5.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 5.9 | nM | 8.23 | Inhibition of human SGLT2 expressed in CHO cells assessed as decrease in uptake ... | 28447791 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28447791 | 10.1021/acs.jmedchem.6b01818 | Sodium/glucose cotransporter 2 | 1 |
Data from ChEMBL 36 via Core Engine