Compound Detail
CHEMBL4283844
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Basic Information
| ChEMBL ID | CHEMBL4283844 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GQZPLTPYSQYTFB-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
396.4
MW (Da)
1.65
ALogP
7
HBA
2
HBD
111.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.41
Kd 1 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 5A CHEMBL2424504 | Kd | 5.22 | 5.22 | 6000.0 | 1 |
| Lysine-specific demethylase 6A CHEMBL2069164 | IC50 | 4.41 | 4.41 | 39000.0 | 1 |
| Lysine-specific demethylase 5A CHEMBL2424504 | IC50 | 4.15 | 4.15 | 71000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 5A | Kd | = | 6000.0 | nM | 5.22 | Binding affinity to KDM5A ARID/PhD1 domain deletion mutant (1 to 588 residues) (... | 30392349 |
| Lysine-specific demethylase 6A | IC50 | = | 39000.0 | nM | 4.41 | Inhibition of KDM6A (880 to 1401 residues) (unknown origin) using H3 ( 21 to 44 ... | 30392349 |
| Lysine-specific demethylase 5A | IC50 | = | 71000.0 | nM | 4.15 | Inhibition of KDM5A ARID/PhD1 domain deletion mutant (1 to 739 residues) (unknow... | 30392349 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30392349 | 10.1021/acs.jmedchem.8b01219 | Lysine-specific demethylase 5A | 2 |
| 30392349 | 10.1021/acs.jmedchem.8b01219 | Unchecked | 2 |
| 30392349 | 10.1021/acs.jmedchem.8b01219 | Lysine-specific demethylase 6A | 1 |
| 30392349 | 10.1021/acs.jmedchem.8b01219 | Lysine-specific demethylase 4A | 1 |
Data from ChEMBL 36 via Core Engine