Compound Detail
CHEMBL3689511
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OC[C@]12COC(c3ccc(Cl)c(Cc4ccc5c(c4)CCO5)c3)(O1)[C@H](O)[C@@H](O)[C@@H]2O
Basic Information
| ChEMBL ID | CHEMBL3689511 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBFXWKNXMYIBMA-ZEMVHIBLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
434.9
MW (Da)
0.89
ALogP
7
HBA
4
HBD
108.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL1075302 | IC50 | 8.83 | 8.83 | 1.5 | 1 |
| SGLT1 protein CHEMBL1744523 | IC50 | 5.6 | 5.6 | 2520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 1.49 | nM | 8.83 | Inhibition Assay: Inhibitory activity of the compounds using SGLT1 and SGLT2. | - |
| SGLT1 protein | IC50 | = | 2520.0 | nM | 5.6 | Inhibition Assay: Inhibitory activity of the compounds using SGLT1 and SGLT2. | - |
Data from ChEMBL 36 via Core Engine