Compound Detail
CHEMBL3288753
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O=C1CN(c2ccc(Cc3cc([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3Cl)cc2)C(=O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL3288753 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDIHVUHQAPOHKV-RZJQWKCISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
705.2
MW (Da)
5.21
ALogP
7
HBA
4
HBD
130.8
PSA (Ų)
0.12
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 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 | 328.0 | 1 |
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 5.2 | 5.2 | 6252.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 328.0 | nM | 6.48 | Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of [14... | 24842618 |
| Sodium/glucose cotransporter 1 | IC50 | = | 6252.0 | nM | 5.2 | Inhibition of human SGLT1 expressed in CHOK1 cells assessed as inhibition of [14... | 24842618 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24842618 | 10.1016/j.bmc.2014.04.036 | Sodium/glucose cotransporter 2 | 1 |
| 24842618 | 10.1016/j.bmc.2014.04.036 | Sodium/glucose cotransporter 1 | 1 |
Data from ChEMBL 36 via Core Engine