Compound Detail
CHEMBL1164445
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C=CCOCc1cc(Cl)c(Cc2ccc(CC)cc2)cc1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL1164445 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCPICDNLSPCVHC-RXFVIIJJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
463.0
MW (Da)
2.71
ALogP
6
HBA
4
HBD
99.4
PSA (Ų)
0.34
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 7.28 | 7.28 | 52.0 | 1 |
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 4.04 | 4.04 | 91000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 52.0 | nM | 7.28 | Inhibition of human SGLT2 expressed in HEK293 cells assessed as inhibition of [1... | 20576578 |
| Sodium/glucose cotransporter 1 | IC50 | = | 91000.0 | nM | 4.04 | Inhibition of human SGLT1 expressed in african green monkey COS7 cells assessed ... | 20576578 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20576578 | 10.1016/j.bmc.2010.04.088 | Mus musculus | 2 |
| 20576578 | 10.1016/j.bmc.2010.04.088 | Rattus norvegicus | 2 |
| 20576578 | 10.1016/j.bmc.2010.04.088 | Sodium/glucose cotransporter 2 | 1 |
| 20576578 | 10.1016/j.bmc.2010.04.088 | Sodium/glucose cotransporter 1 | 1 |
| 20576578 | 10.1016/j.bmc.2010.04.088 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine