Compound Detail
CHEMBL2424814
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Basic Information
| ChEMBL ID | CHEMBL2424814 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFPFFLJDNQHWMA-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
327.5
MW (Da)
4.38
ALogP
3
HBA
2
HBD
77.8
PSA (Ų)
0.32
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 2A CHEMBL1938210 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
| Histone lysine demethylase PHF8 CHEMBL1938212 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
| Lysine-specific demethylase 4C CHEMBL6175 | IC50 | 4.09 | 4.09 | 81000.0 | 1 |
| Lysine-specific demethylase 5A CHEMBL2424504 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 2A | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of KDM2A (unknown origin) | 23964788 |
| Histone lysine demethylase PHF8 | IC50 | = | 17000.0 | nM | 4.77 | Inhibition of KDM7B (unknown origin) using H3K4me3K9me2 and 2-oxoglutarate as su... | 23964788 |
| Lysine-specific demethylase 4C | IC50 | = | 81000.0 | nM | 4.09 | Inhibition of KDM4C (unknown origin) using H3K9me3 peptide and 2-oxoglutarate as... | 23964788 |
| Lysine-specific demethylase 5A | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of KDM5A (unknown origin) using H3K4me3 peptide and 2-oxoglutarate as... | 23964788 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23964788 | 10.1021/jm400624b | Lysine-specific demethylase 6A | 1 |
| 23964788 | 10.1021/jm400624b | Lysine-specific demethylase 2A | 1 |
| 23964788 | 10.1021/jm400624b | Lysine-specific demethylase 5A | 1 |
| 23964788 | 10.1021/jm400624b | Lysine-specific demethylase 4C | 1 |
| 23964788 | 10.1021/jm400624b | Lysine-specific demethylase 4A | 1 |
| 23964788 | 10.1021/jm400624b | Histone lysine demethylase PHF8 | 1 |
Data from ChEMBL 36 via Core Engine