Compound Detail
CHEMBL4281219
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Basic Information
| ChEMBL ID | CHEMBL4281219 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WJNMKYLJNLYALB-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
355.8
MW (Da)
4.27
ALogP
4
HBA
1
HBD
68.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 4A CHEMBL5896 | IC50 | 7.0 | 6.63 | 100.0 | 2 |
| Lysine-specific demethylase 5A/5B CHEMBL4296073 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Lysine-specific demethylase 4C CHEMBL6175 | IC50 | 6.0 | 5.63 | 1000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 4A | IC50 | = | 100.0 | nM | 7.0 | Inhibition of recombinant human N-terminal His-tagged JMJD2A (1 to 350 residues)... | - |
| Lysine-specific demethylase 4A | IC50 | = | 550.0 | nM | 6.26 | JMJD2A Assay: The ability of test compounds to inhibit the activity of JMJD2A wa... | - |
| Lysine-specific demethylase 4C | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of recombinant human N-terminal GST-tagged JMJD2C (2 to 372 residues)... | - |
| Lysine-specific demethylase 5A/5B | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of KDM5A/KDM5B in human ZR-75-1 cells assessed as increase in H3K4me3... | - |
| Lysine-specific demethylase 4C | IC50 | = | 5500.0 | nM | 5.26 | JMJD2C Assay: The ability of test compounds to inhibit the activity of JMJD2C wa... | - |
Data from ChEMBL 36 via Core Engine