Compound Detail
CHEMBL4468119
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 | CHEMBL4468119 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UHVUUCAAVHIPKM-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
216.2
MW (Da)
1.33
ALogP
4
HBA
1
HBD
74.0
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.03
EC50 1 meas. best 4.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 5A CHEMBL2424504 | IC50 | 8.03 | 7.825 | 9.3 | 2 |
| Unchecked CHEMBL612545 | EC50 | 4.86 | 4.86 | 13800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 5A | IC50 | = | 9.3 | nM | 8.03 | Inhibition of KDM5A (unknown origin) | 27406798 |
| Lysine-specific demethylase 5A | IC50 | = | 24.0 | nM | 7.62 | Inhibition of KDM5A (unknown origin) using ART(Kme3)QTARKSTGGKAPRKQLA-NovaTagPEG... | 27476424 |
| Unchecked | EC50 | = | 13800.0 | nM | 4.86 | 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 | Unchecked | 1 |
| 27406798 | 10.1016/j.bmcl.2016.06.078 | Lysine-specific demethylase 5A | 1 |
| 27476424 | 10.1016/j.bmcl.2016.07.026 | Lysine-specific demethylase 5A | 1 |
Data from ChEMBL 36 via Core Engine