Compound Detail
CHEMBL1672813
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OC[C@H]1O[C@@H](c2ccc(C3CC3)c(Cc3ncc(-c4ccco4)s3)c2)[C@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL1672813 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACAUEKMPUFWNLM-PHNZBSFLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
443.5
MW (Da)
2.39
ALogP
8
HBA
4
HBD
116.2
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 7.26 | 7.26 | 54.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 54.8 | nM | 7.26 | Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-... | 24900297 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900297 | 10.1021/ml100256c | Sodium/glucose cotransporter 2 | 1 |
Data from ChEMBL 36 via Core Engine