Compound Detail
CHEMBL4521076
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Basic Information
| ChEMBL ID | CHEMBL4521076 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GSNZPZDSMBVGPU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
359.2
MW (Da)
5.50
ALogP
3
HBA
2
HBD
62.2
PSA (Ų)
0.65
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-ketoglutarate-dependent dioxygenase FTO CHEMBL2331065 | IC50 | 5.82 | 5.58 | 1500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-ketoglutarate-dependent dioxygenase FTO | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of N-terminal His-tagged human FTO expressed in Escherichia coli BL21... | 35793358 |
| Alpha-ketoglutarate-dependent dioxygenase FTO | IC50 | = | 4600.0 | nM | 5.34 | 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 | 4 |
Data from ChEMBL 36 via Core Engine