Compound Detail
CHEMBL5206330
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CC(C)(C)OC(=O)C[C@@H]1CCN(C(c2ccc(-c3ccncc3)cc2)c2cc3c(cc2O)OCO3)C1
Basic Information
| ChEMBL ID | CHEMBL5206330 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPUZCLYIUAGHQX-ZAFBDEJNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
488.6
MW (Da)
5.33
ALogP
7
HBA
1
HBD
81.1
PSA (Ų)
0.47
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 4D CHEMBL6138 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 4D | IC50 | = | 23.0 | nM | 7.64 | Inhibition of KDM4D (unknown origin) measured by AlphaLisa-based screening assay | 35838529 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35838529 | 10.1021/acs.jmedchem.2c00680 | Lysine-specific demethylase 4D | 1 |
| 35838529 | 10.1021/acs.jmedchem.2c00680 | Lysine-specific demethylase 4A | 1 |
Data from ChEMBL 36 via Core Engine