Compound Detail
CHEMBL3786528
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Basic Information
| ChEMBL ID | CHEMBL3786528 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NIROIUUITQXVHP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
216.2
MW (Da)
1.48
ALogP
5
HBA
0
HBD
63.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 5A CHEMBL2424504 | IC50 | 6.49 | 6.49 | 324.0 | 1 |
| Lysine-specific demethylase 4C CHEMBL6175 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 5A | IC50 | = | 324.0 | nM | 6.49 | Inhibition of KDM5A (unknown origin) using ART(Kme3)QTARKSTGGKAPRKQLA-NovaTagPEG... | 27476424 |
| Lysine-specific demethylase 4C | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of recombinant His6-tagged KDM4C (350 residues) (unknown origin) expr... | 26710088 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26710088 | 10.1021/acs.jmedchem.5b01758 | Lysine-specific demethylase 5A | 1 |
| 26710088 | 10.1021/acs.jmedchem.5b01758 | Lysine-specific demethylase 4C | 1 |
| 26710088 | 10.1021/acs.jmedchem.5b01758 | Lysine-specific demethylase 5B | 1 |
| 27476424 | 10.1016/j.bmcl.2016.07.026 | Lysine-specific demethylase 5A | 1 |
Data from ChEMBL 36 via Core Engine