Compound Detail
CHEMBL4165713
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CCOc1ccc(Cc2cc([C@@H]3O[C@H](CNNc4ccc([N+](=O)[O-])cc4)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL4165713 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKEIWHWLHVMMTM-SEFGFODJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
544.0
MW (Da)
3.38
ALogP
9
HBA
5
HBD
146.3
PSA (Ų)
0.19
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | EC50 | 6.68 | 6.68 | 211.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | EC50 | = | 211.0 | nM | 6.68 | Inhibition of human SGLT2 expressed in CHO cells assessed as reduction in [14C]A... | 29216560 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29216560 | 10.1016/j.ejmech.2017.11.019 | Sodium/glucose cotransporter 2 | 1 |
Data from ChEMBL 36 via Core Engine