Compound Detail
CHEMBL4100530
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Basic Information
| ChEMBL ID | CHEMBL4100530 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXCXDWJNFKFGCO-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
344.8
MW (Da)
4.43
ALogP
3
HBA
2
HBD
75.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.26
Kd 1 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 5A CHEMBL2424504 | Kd | 6.28 | 6.28 | 530.0 | 1 |
| Lysine-specific demethylase 4C CHEMBL6175 | IC50 | 5.26 | 5.26 | 5500.0 | 2 |
| Lysine-specific demethylase 5A CHEMBL2424504 | IC50 | 5.17 | 5.17 | 6700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 5A | Kd | = | 530.0 | nM | 6.28 | Binding affinity to ARID/PHD1/Zn binding domain truncated human N-terminal His-S... | 29537847 |
| Lysine-specific demethylase 4C | IC50 | = | 5500.0 | nM | 5.26 | JMJD2C Assay: The ability of test compounds to inhibit the activity of JMJD2C wa... | - |
| Lysine-specific demethylase 4C | IC50 | = | 5500.0 | nM | 5.26 | Enzymatic Assay: The ability of test compounds to inhibit the activity of JMJD2C... | - |
| Lysine-specific demethylase 5A | IC50 | = | 6700.0 | nM | 5.17 | 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