Compound Detail
CHEMBL5423158
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Cc1cccc(S[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(-c2ccc(F)cc2)s1
Basic Information
| ChEMBL ID | CHEMBL5423158 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNMNZDRDINMSIK-MWFZDGHISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
476.6
MW (Da)
3.35
ALogP
7
HBA
4
HBD
90.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 8.6 | 8.6 | 2.5 | 1 |
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 5.82 | 5.82 | 1499.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 2.5 | nM | 8.6 | Inhibition of SGLT2 (unknown origin) | 37608596 |
| Sodium/glucose cotransporter 1 | IC50 | = | 1499.0 | nM | 5.82 | Inhibition of SGLT1 (unknown origin) | 37608596 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37608596 | 10.1021/acs.jmedchem.3c01138 | Sodium/glucose cotransporter 2 | 2 |
| 37608596 | 10.1021/acs.jmedchem.3c01138 | Sodium/glucose cotransporter 1 | 1 |
| 37608596 | 10.1021/acs.jmedchem.3c01138 | HEK293 | 1 |
| 37608596 | 10.1021/acs.jmedchem.3c01138 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine