Compound Detail
CHEMBL3775451
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Basic Information
| ChEMBL ID | CHEMBL3775451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UZFOOEZHJLPYBL-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
458.5
MW (Da)
2.73
ALogP
8
HBA
1
HBD
98.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 5B CHEMBL3774295 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Lysine-specific demethylase 5C CHEMBL2163176 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
| Lysine-specific demethylase 4B CHEMBL3313832 | IC50 | 7.14 | 7.14 | 72.0 | 1 |
| Lysine-specific demethylase 4A CHEMBL5896 | IC50 | 6.87 | 6.87 | 136.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 5B | IC50 | = | 16.0 | nM | 7.8 | Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincuba... | 26741168 |
| Lysine-specific demethylase 5C | IC50 | = | 21.0 | nM | 7.68 | Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincuba... | 26741168 |
| Lysine-specific demethylase 4B | IC50 | = | 72.0 | nM | 7.14 | Inhibition of recombinant human N-terminal GST-tagged KDM4B (1 to 500 residues) ... | 26741168 |
| Lysine-specific demethylase 4A | IC50 | = | 136.0 | nM | 6.87 | Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in... | 26741168 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26741168 | 10.1021/acs.jmedchem.5b01635 | Lysine-specific demethylase 4A | 1 |
| 26741168 | 10.1021/acs.jmedchem.5b01635 | Lysine-specific demethylase 4B | 1 |
| 26741168 | 10.1021/acs.jmedchem.5b01635 | Lysine-specific demethylase 5B | 1 |
| 26741168 | 10.1021/acs.jmedchem.5b01635 | Lysine-specific demethylase 5C | 1 |
Data from ChEMBL 36 via Core Engine