Compound Detail
CHEMBL4542354
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4542354 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPKVULZIHAFEPI-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
2.61
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 6.06
IC50 1 meas. best 7.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 5A CHEMBL2424504 | IC50 | 7.95 | 7.95 | 11.2 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.06 | 6.06 | 870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 5A | IC50 | = | 11.2 | nM | 7.95 | Inhibition of KDM5A (unknown origin) | 27406798 |
| Unchecked | EC50 | = | 870.0 | nM | 6.06 | 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