Compound Detail
CHEMBL5208226
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Basic Information
| ChEMBL ID | CHEMBL5208226 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGKCDFWGEUZWSU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
330.4
MW (Da)
2.85
ALogP
4
HBA
1
HBD
37.6
PSA (Ų)
0.88
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-ketoglutarate-dependent dioxygenase FTO CHEMBL2331065 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| RNA demethylase ALKBH5 CHEMBL3621037 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-ketoglutarate-dependent dioxygenase FTO | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of recombinant FTO (unknown origin) using m6A Broccoli as substrate i... | 35939803 |
| RNA demethylase ALKBH5 | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of ALKBH5 (unknown origin) | 35939803 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35939803 | 10.1021/acs.jmedchem.1c02075 | RNA demethylase ALKBH5 | 1 |
| 35939803 | 10.1021/acs.jmedchem.1c02075 | Alpha-ketoglutarate-dependent dioxygenase FTO | 1 |
Data from ChEMBL 36 via Core Engine