Compound Detail
CHEMBL5282569
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Basic Information
| ChEMBL ID | CHEMBL5282569 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UUBZRDSEASITLG-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
320.3
MW (Da)
1.21
ALogP
5
HBA
2
HBD
113.4
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-ketoglutarate-dependent dioxygenase alkB homolog 3 CHEMBL3112376 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
| DNA oxidative demethylase ALKBH2 CHEMBL5169164 | IC50 | 4.25 | 4.25 | 56400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-ketoglutarate-dependent dioxygenase alkB homolog 3 | IC50 | = | 3700.0 | nM | 5.43 | Inhibition of human ALKBH3 expressed in Escherichia coli BL21 (DE3) Rosetta cell... | 34792334 |
| DNA oxidative demethylase ALKBH2 | IC50 | = | 56400.0 | nM | 4.25 | Inhibition of human ALKBH2 (56 to 258 residues) expressed in Escherichia coli BL... | 34792334 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34792334 | 10.1021/acs.jmedchem.1c01694 | Alpha-ketoglutarate-dependent dioxygenase FTO | 1 |
| 34792334 | 10.1021/acs.jmedchem.1c01694 | DNA oxidative demethylase ALKBH2 | 1 |
| 34792334 | 10.1021/acs.jmedchem.1c01694 | Alpha-ketoglutarate-dependent dioxygenase alkB homolog 3 | 1 |
| 34792334 | 10.1021/acs.jmedchem.1c01694 | RNA demethylase ALKBH5 | 1 |
Data from ChEMBL 36 via Core Engine