Compound Detail
CHEMBL3786108
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Basic Information
| ChEMBL ID | CHEMBL3786108 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTUTUCVVSXMISL-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
332.7
MW (Da)
3.50
ALogP
4
HBA
2
HBD
84.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 4A CHEMBL5896 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Lysine-specific demethylase 5A CHEMBL2424504 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Lysine-specific demethylase 5B CHEMBL3774295 | 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 4A | IC50 | = | 100.0 | nM | 7.0 | Inhibition of recombinant human N-terminal His-tagged KDM4A (1 to 350 residues) ... | 26710088 |
| Lysine-specific demethylase 5A | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of recombinant human C-terminal FLAG-tagged KDM5A (1 to 1090 residues... | 26710088 |
| Lysine-specific demethylase 5B | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of recombinant human N-terminal His-FLAG-tagged KDM5B (2 to 751 resid... | 26710088 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26710088 | 10.1021/acs.jmedchem.5b01758 | Unchecked | 3 |
| 26710088 | 10.1021/acs.jmedchem.5b01758 | Lysine-specific demethylase 5A | 1 |
| 26710088 | 10.1021/acs.jmedchem.5b01758 | Lysine-specific demethylase 5B | 1 |
| 26710088 | 10.1021/acs.jmedchem.5b01758 | Lysine-specific demethylase 4C | 1 |
| 26710088 | 10.1021/acs.jmedchem.5b01758 | Lysine-specific demethylase 4A | 1 |
Data from ChEMBL 36 via Core Engine