Compound Detail
CHEMBL3785443
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Basic Information
| ChEMBL ID | CHEMBL3785443 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVCPEMIYZIDHEV-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
324.4
MW (Da)
2.54
ALogP
6
HBA
1
HBD
91.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.28
IC50 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 5A CHEMBL2424504 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| Lysine-specific demethylase 5A CHEMBL2424504 | EC50 | 6.28 | 6.28 | 530.0 | 1 |
| Lysine-specific demethylase 5B CHEMBL3774295 | EC50 | 6.28 | 6.28 | 530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 5A | IC50 | = | 15.0 | nM | 7.82 | Inhibition of recombinant full length FLAG-tagged KDM5A (unknown origin) express... | 26710088 |
| Lysine-specific demethylase 5A | EC50 | = | 530.0 | nM | 6.28 | Inhibition of KDM5A in human PC9 cells assessed as reduction in demethylation of... | 26710088 |
| Lysine-specific demethylase 5B | EC50 | = | 530.0 | nM | 6.28 | Inhibition of KDM5B in human PC9 cells assessed as reduction in demethylation of... | 26710088 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26710088 | 10.1021/acs.jmedchem.5b01758 | Lysine-specific demethylase 5A | 2 |
| 26710088 | 10.1021/acs.jmedchem.5b01758 | Lysine-specific demethylase 5B | 1 |
Data from ChEMBL 36 via Core Engine