Compound Detail
CHEMBL3786617
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Basic Information
| ChEMBL ID | CHEMBL3786617 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNABVSMDKOBVOS-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
269.3
MW (Da)
1.81
ALogP
6
HBA
2
HBD
92.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
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 5A CHEMBL2424504 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Lysine-specific demethylase 5B CHEMBL3774295 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Lysine-specific demethylase 4C CHEMBL6175 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 4C | IC50 | = | 100.0 | nM | 7.0 | Inhibition of recombinant human N-terminal GST-tagged KDM4C (2 to 372 residues) ... | 26710088 |
| Lysine-specific demethylase 5A | IC50 | = | 100.0 | nM | 7.0 | Inhibition of KDM5A in human ZR-75-1 cells assessed as reduction in H3K4me3 deme... | 26710088 |
| Lysine-specific demethylase 5B | IC50 | = | 100.0 | nM | 7.0 | Inhibition of KDM5B in human ZR-75-1 cells assessed as reduction in H3K4me3 deme... | 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 | 2 |
| 26710088 | 10.1021/acs.jmedchem.5b01758 | Unchecked | 2 |
| 26710088 | 10.1021/acs.jmedchem.5b01758 | Lysine-specific demethylase 4C | 1 |
Data from ChEMBL 36 via Core Engine