Compound Detail
CHEMBL3288746
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O=c1n(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)nc2cc(C(F)(F)F)ccn12
Basic Information
| ChEMBL ID | CHEMBL3288746 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGKIUHNOJOLUBR-LHKMKVQPSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
489.8
MW (Da)
0.73
ALogP
9
HBA
4
HBD
129.4
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 6.6 | 6.5733 | 252.0 | 3 |
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 4.3 | 4.3 | 49500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 252.0 | nM | 6.6 | Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of [14... | 24842618 |
| Sodium/glucose cotransporter 2 | IC50 | = | 273.0 | nM | 6.56 | In Vitro Assay: The inhibitory activity of the compounds of this invention again... | - |
| Sodium/glucose cotransporter 2 | IC50 | = | 273.0 | nM | 6.56 | In Vitro Assay: The inhibitory activity of the compounds of this invention again... | - |
| Sodium/glucose cotransporter 1 | IC50 | = | 49500.0 | nM | 4.3 | In Vitro Assay: The inhibitory activity of the compounds of this invention again... | - |
| Sodium/glucose cotransporter 1 | IC50 | = | 49500.0 | nM | 4.3 | In Vitro Assay: The inhibitory activity of the compounds of this invention again... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24842618 | 10.1016/j.bmc.2014.04.036 | Sodium/glucose cotransporter 2 | 1 |
| 24842618 | 10.1016/j.bmc.2014.04.036 | Sodium/glucose cotransporter 1 | 1 |
Data from ChEMBL 36 via Core Engine