Compound Detail
CHEMBL4446803
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Basic Information
| ChEMBL ID | CHEMBL4446803 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUTAXMFKQNCCQD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
392.7
MW (Da)
6.76
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.52
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-ketoglutarate-dependent dioxygenase FTO CHEMBL2331065 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-ketoglutarate-dependent dioxygenase FTO | IC50 | = | 30000.0 | nM | 4.52 | Inhibition of FTO (unknown origin) assessed as reduction in demethylation using ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35793358 | 10.1021/acs.jmedchem.2c00848 | Alpha-ketoglutarate-dependent dioxygenase FTO | 1 |
Data from ChEMBL 36 via Core Engine