Compound Detail
CHEMBL500780
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CC1(C)C2=C3C=C4C5=[N+](CCC4OC3CCN2c2ccc(CC(=O)NCCCCOc3ccc(Cc4cc([C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)ccc4Cl)cc3)cc21)c1ccc(S(=O)(=O)[O-])cc1C5(C)C
Basic Information
| ChEMBL ID | CHEMBL500780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DJFXSFFMLANJKI-QMHAEFADSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
994.6
MW (Da)
5.80
ALogP
12
HBA
5
HBD
201.2
PSA (Ų)
0.06
QED
3
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 6.84 | 6.84 | 145.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 145.0 | nM | 6.84 | Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]alpha-methyl-D... | 18755586 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18755586 | 10.1016/j.bmcl.2008.08.036 | Sodium/glucose cotransporter 2 | 1 |
Data from ChEMBL 36 via Core Engine