Compound Detail
CHEMBL5203605
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Basic Information
| ChEMBL ID | CHEMBL5203605 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VBTBURGKMCKOJC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
272.2
MW (Da)
2.29
ALogP
4
HBA
2
HBD
75.3
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RNA demethylase ALKBH5 CHEMBL3621037 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RNA demethylase ALKBH5 | IC50 | = | 21.0 | nM | 7.68 | Inhibition of human recombinant ALKBH5 (66 to 292 residues) expressed in Escheri... | 35597008 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35597008 | 10.1016/j.ejmech.2022.114446 | RNA demethylase ALKBH5 | 11 |
| 35597008 | 10.1016/j.ejmech.2022.114446 | Alpha-ketoglutarate-dependent dioxygenase FTO | 3 |
| 35597008 | 10.1016/j.ejmech.2022.114446 | Nucleic acid dioxygenase ALKBH1 | 2 |
| 35597008 | 10.1016/j.ejmech.2022.114446 | DNA oxidative demethylase ALKBH2 | 1 |
Data from ChEMBL 36 via Core Engine