Compound Detail
CHEMBL429911
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CCNC(=O)c1c(O)c(Cc2ccc(OC)cc2)cc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O
Basic Information
| ChEMBL ID | CHEMBL429911 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZXQPEYYMUBKGOA-JLMLEOCNSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
463.5
MW (Da)
-0.04
ALogP
9
HBA
7
HBD
168.9
PSA (Ų)
0.30
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | EC50 | 6.3 | 6.095 | 500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | EC50 | = | 500.0 | nM | 6.3 | Inhibition of human kidney SGLT2 assessed as renal glucose reabsorption | 19243175 |
| Sodium/glucose cotransporter 2 | EC50 | = | 1300.0 | nM | 5.89 | Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of [14C]... | 18260618 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18260618 | 10.1021/jm701272q | Sodium/glucose cotransporter 2 | 1 |
| 18260618 | 10.1021/jm701272q | Sodium/glucose cotransporter 1 | 1 |
| 18260618 | 10.1021/jm701272q | Unchecked | 1 |
| 19243175 | 10.1021/jm8013019 | Sodium/glucose cotransporter 2 | 1 |
Data from ChEMBL 36 via Core Engine