Compound Detail
CHEMBL1642730
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O[C@@H]1[C@@H](O)[C@H](c2ccc(Cl)c(Cc3ncc(-c4ccco4)s3)c2)O[C@H](Cn2ncnn2)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL1642730 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNIGJIRJNKGCOQ-GRARQNNCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
489.9
MW (Da)
1.86
ALogP
11
HBA
3
HBD
139.6
PSA (Ų)
0.37
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 6.97 | 6.97 | 106.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 106.0 | nM | 6.97 | Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of [14C]... | 21193308 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21193308 | 10.1016/j.bmcl.2010.11.115 | Sodium/glucose cotransporter 2 | 1 |
Data from ChEMBL 36 via Core Engine