Compound Detail
CHEMBL4587659
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Basic Information
| ChEMBL ID | CHEMBL4587659 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXYPFSFTSMSILI-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
296.3
MW (Da)
1.90
ALogP
6
HBA
1
HBD
91.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.64
IC50 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 5A CHEMBL2424504 | IC50 | 7.96 | 7.96 | 11.1 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.64 | 5.64 | 2300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 5A | IC50 | = | 11.1 | nM | 7.96 | Inhibition of KDM5A (unknown origin) | 27406798 |
| Unchecked | EC50 | = | 2300.0 | nM | 5.64 | Inhibition of KDM5 in human PC9 cells assessed as demethylation of H3K4Me3 | 27406798 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27406798 | 10.1016/j.bmcl.2016.06.078 | ADMET | 2 |
| 27406798 | 10.1016/j.bmcl.2016.06.078 | No relevant target | 1 |
| 27406798 | 10.1016/j.bmcl.2016.06.078 | Unchecked | 1 |
| 27406798 | 10.1016/j.bmcl.2016.06.078 | Lysine-specific demethylase 5A | 1 |
Data from ChEMBL 36 via Core Engine