Compound Detail
CHEMBL4060968
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Basic Information
| ChEMBL ID | CHEMBL4060968 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CXEXTVGTDZRKJS-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
290.4
MW (Da)
1.27
ALogP
3
HBA
2
HBD
78.1
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.19
EC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 5A CHEMBL2424504 | IC50 | 7.19 | 7.12 | 65.0 | 2 |
| Lysine-specific demethylase 5A CHEMBL2424504 | EC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 5A | IC50 | = | 65.0 | nM | 7.19 | Inhibition of recombinant human N-terminal FLAG-tagged KDM5A expressed in baculo... | 28512031 |
| Lysine-specific demethylase 5A | IC50 | = | 90.0 | nM | 7.05 | Inhibition of recombinant human N-terminal FLAG-tagged KDM5A expressed in baculo... | 28512031 |
| Lysine-specific demethylase 5A | EC50 | = | 1600.0 | nM | 5.8 | Inhibition of KDM5A in human PC9 cells assessed as increase in H3K4me3 level aft... | 28512031 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28512031 | 10.1016/j.bmcl.2017.05.016 | Lysine-specific demethylase 5A | 4 |
Data from ChEMBL 36 via Core Engine