Compound Detail
CHEMBL3660002
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O=c1n(-c2ccc(Cc3cc([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3Cl)cc2)cc(O)n1C(c1ccccc1)(c1ccccc1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL3660002 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QVHIGCTZFISHPB-RZJQWKCISA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
705.2
MW (Da)
4.94
ALogP
9
HBA
5
HBD
137.3
PSA (Ų)
0.13
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 6.48 | 6.48 | 329.0 | 2 |
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 5.2 | 5.2 | 6251.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 329.0 | nM | 6.48 | In Vitro Assay: The inhibitory activity of the compounds of this invention again... | - |
| Sodium/glucose cotransporter 2 | IC50 | = | 329.0 | nM | 6.48 | In Vitro Assay: The inhibitory activity of the compounds of this invention again... | - |
| Sodium/glucose cotransporter 1 | IC50 | = | 6251.0 | nM | 5.2 | In Vitro Assay: The inhibitory activity of the compounds of this invention again... | - |
| Sodium/glucose cotransporter 1 | IC50 | = | 6251.0 | nM | 5.2 | In Vitro Assay: The inhibitory activity of the compounds of this invention again... | - |
Data from ChEMBL 36 via Core Engine