Compound Detail
CHEMBL334384
4-FLUORO-2',4',6'-TRIHYDROXYCHALCONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL334384 |
| Name | 4-FLUORO-2',4',6'-TRIHYDROXYCHALCONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHTJJLRPHGCOGK-ZZXKWVIFSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
274.2
MW (Da)
2.84
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.59
Kd 1 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 5.44 | 5.44 | 3600.0 | 1 |
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 4.59 | 4.59 | 25600.0 | 1 |
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 4.29 | 4.29 | 51700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 3600.0 | nM | 5.44 | The dissociation constant was measured as binding affinity to P-Glycoprotein C-t... | 9767651 |
| Sodium/glucose cotransporter 1 | IC50 | = | 25600.0 | nM | 4.59 | Inhibition of human SGLT1 expressed in HEK293 cells assessed as reduction in 2-d... | 28098449 |
| Sodium/glucose cotransporter 2 | IC50 | = | 51700.0 | nM | 4.29 | Inhibition of human SGLT2 expressed in HEK293 cells assessed as reduction in 2-d... | 28098449 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28098449 | 10.1021/acs.jmedchem.6b01134 | Sodium/glucose cotransporter 2 | 2 |
| 28098449 | 10.1021/acs.jmedchem.6b01134 | Sodium/glucose cotransporter 1 | 2 |
| 9767651 | 10.1021/jm9810194 | Unchecked | 1 |
| 9767651 | 10.1021/jm9810194 | NON-PROTEIN TARGET | 1 |
| - | 10.1007/s00044-011-9640-2 | Mus musculus | 1 |
| 28098449 | 10.1021/acs.jmedchem.6b01134 | HEK293 | 1 |
| 28098449 | 10.1021/acs.jmedchem.6b01134 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine