Compound Detail
CHEMBL1672811
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N#Cc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ncc(-c2ccco2)s1
Basic Information
| ChEMBL ID | CHEMBL1672811 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JJNONZCQHVTQGR-GRARQNNCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
428.5
MW (Da)
1.38
ALogP
9
HBA
4
HBD
140.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 7.43 | 7.43 | 36.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 36.7 | nM | 7.43 | 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