Compound Detail
CHEMBL3785832
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Basic Information
| ChEMBL ID | CHEMBL3785832 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMXDPQZYSIFABV-UHFFFAOYSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
329.7
MW (Da)
3.20
ALogP
5
HBA
1
HBD
77.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.4
EC50 1 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 5B CHEMBL3774295 | IC50 | 8.4 | 7.7 | 4.0 | 2 |
| Lysine-specific demethylase 5A CHEMBL2424504 | IC50 | 7.85 | 7.425 | 14.0 | 2 |
| Lysine-specific demethylase 4C CHEMBL6175 | IC50 | 7.27 | 7.27 | 54.0 | 1 |
| Lysine-specific demethylase 5A/5B CHEMBL4296073 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Lysine-specific demethylase 5A/5B CHEMBL4296073 | EC50 | 6.38 | 6.38 | 420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 5B | IC50 | = | 4.0 | nM | 8.4 | Inhibition of KDM5B (unknown origin) preincubated with enzyme | 29627262 |
| Lysine-specific demethylase 5A | IC50 | = | 14.0 | nM | 7.85 | Inhibition of KDM5A (unknown origin) preincubated with enzyme | 29627262 |
| Lysine-specific demethylase 4C | IC50 | = | 54.0 | nM | 7.27 | Inhibition of KDM4C (unknown origin) preincubated with enzyme | 29627262 |
| 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 |
| Lysine-specific demethylase 5A/5B | IC50 | = | 100.0 | nM | 7.0 | Inhibition of KDM5A/KDM5B in human ZR-75-1 cells assessed as increase in H3K4me3... | - |
| Lysine-specific demethylase 5A/5B | EC50 | = | 420.0 | nM | 6.38 | Inhibition of KDM5A/KDM5B in human ZR-75-1 cells assessed as increase in H3K4me3... | 29627262 |
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 | Lysine-specific demethylase 4C | 1 |
| 29627262 | 10.1016/j.bmcl.2018.03.083 | Lysine-specific demethylase 5A | 1 |
| 29627262 | 10.1016/j.bmcl.2018.03.083 | Lysine-specific demethylase 5B | 1 |
| 29627262 | 10.1016/j.bmcl.2018.03.083 | Lysine-specific demethylase 4C | 1 |
| 29627262 | 10.1016/j.bmcl.2018.03.083 | Lysine-specific demethylase 5A/5B | 1 |
Data from ChEMBL 36 via Core Engine