Compound Detail
CHEMBL591689
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Basic Information
| ChEMBL ID | CHEMBL591689 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBNMVIZFMMWMFD-OAHLLOKOSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
343.3
MW (Da)
1.46
ALogP
4
HBA
3
HBD
112.9
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 4A CHEMBL5896 | IC50 | 4.48 | 4.48 | 33000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.43 | 4.275 | 37100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 4A | IC50 | = | 33000.0 | nM | 4.48 | Inhibition of JMJD2A by MALDI-TOF assay | 20088513 |
| Unchecked | IC50 | = | 37100.0 | nM | 4.43 | Inhibition of JMJD2E by FDH coupled assay | 20088513 |
| Unchecked | IC50 | = | 76000.0 | nM | 4.12 | Inhibition of JMJD2E by MALDI-TOF assay | 20088513 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20088513 | 10.1021/jm901680b | Unchecked | 4 |
| 20088513 | 10.1021/jm901680b | Lysine-specific demethylase 4A | 1 |
Data from ChEMBL 36 via Core Engine