Compound Detail
CHEMBL4112413
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OC[C@H]1O[C@@H](c2cc(Cc3cc4ccccc4s3)c(Cl)c3c2CCO3)[C@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL4112413 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWGDMQCAJUQFCF-CKSGFJDPSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
462.9
MW (Da)
2.60
ALogP
7
HBA
4
HBD
99.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 8.85 | 8.85 | 1.4 | 2 |
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 6.83 | 6.83 | 148.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 1.4 | nM | 8.85 | SGLT2 Inhibition Assay: For sodium-dependent glucose transport assay, cells expr... | - |
| Sodium/glucose cotransporter 2 | IC50 | = | 1.4 | nM | 8.85 | SGLT2 Inhibition Assay: For sodium-dependent glucose transport assay, cells expr... | - |
| Sodium/glucose cotransporter 1 | IC50 | = | 148.0 | nM | 6.83 | SGLT1 Inhibition Assay: For sodium-dependent glucose transport assay, cells expr... | - |
| Sodium/glucose cotransporter 1 | IC50 | = | 148.0 | nM | 6.83 | SGLT1 Inhibition Assay: For sodium-dependent glucose transport assay, cells expr... | - |
Data from ChEMBL 36 via Core Engine