Compound Detail
CHEMBL1779210
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CS(=O)(=O)c1cc(Cl)cc2c1OCC(=O)N2Cc1nnc(CCc2ccc(Cl)cc2)n1CCC(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL1779210 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJTXTKYBYRLTEU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
577.4
MW (Da)
4.65
ALogP
7
HBA
0
HBD
94.4
PSA (Ų)
0.39
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 6.18 | 6.18 | 660.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 660.0 | nM | 6.18 | Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of [14C]... | 21565497 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21565497 | 10.1016/j.bmcl.2011.04.053 | Sodium/glucose cotransporter 2 | 2 |
| 21565497 | 10.1016/j.bmcl.2011.04.053 | Liver microsomes | 2 |
Data from ChEMBL 36 via Core Engine