Compound Detail
CHEMBL1645378
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O=C(CCc1ccccc1)c1c(O)cc(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O
Basic Information
| ChEMBL ID | CHEMBL1645378 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQDFEYKTGPKVCI-VJXVFPJBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
420.4
MW (Da)
0.13
ALogP
9
HBA
7
HBD
167.9
PSA (Ų)
0.32
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 7.7 | 7.7 | 19.8 | 1 |
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 5.0 | 5.0 | 9900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 19.8 | nM | 7.7 | Inhibition of human SGLT2 expressed in HEK293 cells assessed as reduction in 2-d... | 28098449 |
| Sodium/glucose cotransporter 1 | IC50 | = | 9900.0 | nM | 5.0 | Inhibition of human SGLT1 expressed in HEK293 cells assessed as reduction in 2-d... | 28098449 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21129962 | 10.1016/j.bmcl.2010.11.031 | Rattus norvegicus | 3 |
| 28098449 | 10.1021/acs.jmedchem.6b01134 | Sodium/glucose cotransporter 2 | 2 |
| 28098449 | 10.1021/acs.jmedchem.6b01134 | Sodium/glucose cotransporter 1 | 2 |
| 28098449 | 10.1021/acs.jmedchem.6b01134 | Unchecked | 2 |
| 21129962 | 10.1016/j.bmcl.2010.11.031 | L6 | 1 |
| 28098449 | 10.1021/acs.jmedchem.6b01134 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine