Compound Detail
CHEMBL2017954
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CCc1ccc(Cc2cccc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL2017954 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFXKITZDCPUFFU-ADAARDCZSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
1.35
ALogP
5
HBA
4
HBD
90.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.29
EC50 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | EC50 | 8.3 | 8.3 | 5.0 | 1 |
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 8.29 | 8.145 | 5.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | EC50 | = | 5.0 | nM | 8.3 | Inhibition of SGLT2 (unknown origin) | 31930920 |
| Sodium/glucose cotransporter 2 | IC50 | = | 5.1 | nM | 8.29 | Inhibition of human SGLT2 expressed in CHOK cells assessed as [14-C]AMG uptake p... | 23999047 |
| Sodium/glucose cotransporter 2 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]AMG accumulati... | 22507206 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22507206 | 10.1016/j.bmc.2012.03.051 | Sodium/glucose cotransporter 2 | 1 |
| 22507206 | 10.1016/j.bmc.2012.03.051 | Unchecked | 1 |
| 23999047 | 10.1016/j.bmcl.2013.08.042 | Rattus norvegicus | 1 |
| 23999047 | 10.1016/j.bmcl.2013.08.042 | Sodium/glucose cotransporter 2 | 1 |
| 31930920 | 10.1021/acs.jmedchem.9b01701 | Sodium/glucose cotransporter 2 | 1 |
Data from ChEMBL 36 via Core Engine