Compound Detail
CHEMBL4059617
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Basic Information
| ChEMBL ID | CHEMBL4059617 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZTBUBVWGCXOMR-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
434.9
MW (Da)
5.85
ALogP
3
HBA
2
HBD
75.2
PSA (Ų)
0.51
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.66
Kd 1 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 5A CHEMBL2424504 | Kd | 6.33 | 6.33 | 470.0 | 1 |
| Lysine-specific demethylase 5A CHEMBL2424504 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 5A | Kd | = | 470.0 | nM | 6.33 | Binding affinity to ARID/PHD1/Zn binding domain truncated human N-terminal His-S... | 29537847 |
| Lysine-specific demethylase 5A | IC50 | = | 22000.0 | nM | 4.66 | Inhibition of recombinant human C-terminal FLAG-tagged KDM5A (1 to 1090 residues... | 29537847 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29537847 | 10.1021/acs.jmedchem.8b00261 | Lysine-specific demethylase 5A | 2 |
Data from ChEMBL 36 via Core Engine