Compound Detail
CHEMBL3793278
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Basic Information
| ChEMBL ID | CHEMBL3793278 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AVMDBCMWSSIKTF-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
154.1
MW (Da)
-0.54
ALogP
5
HBA
3
HBD
101.1
PSA (Ų)
0.39
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 5A CHEMBL2424504 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
| Probable JmjC domain-containing histone demethylation protein 2C CHEMBL3792271 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Lysine-specific demethylase 4E CHEMBL1293226 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
| Lysine-specific demethylase 3A CHEMBL1938209 | IC50 | 4.37 | 4.37 | 43000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 5A | IC50 | = | 220.0 | nM | 6.66 | Inhibition of KDM5A (unknown origin) using substrate peptide/ascorbate/2-OG/ Fe(... | 27020306 |
| Probable JmjC domain-containing histone demethylation protein 2C | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of KDM3C (unknown origin) using substrate peptide/ascorbate/2-OG/ Fe(... | 27020306 |
| Lysine-specific demethylase 4E | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of KDM4E (unknown origin) using substrate peptide/ascorbate/2-OG/ Fe(... | 27020306 |
| Lysine-specific demethylase 3A | IC50 | = | 43000.0 | nM | 4.37 | Inhibition of KDM3A (unknown origin) using substrate peptide/ascorbate/2-OG/ Fe(... | 27020306 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27020306 | 10.1016/j.bmcl.2016.03.048 | Lysine-specific demethylase 5A | 3 |
| 27020306 | 10.1016/j.bmcl.2016.03.048 | Lysine-specific demethylase 6B | 1 |
| 27020306 | 10.1016/j.bmcl.2016.03.048 | Lysine-specific demethylase 3A | 1 |
| 27020306 | 10.1016/j.bmcl.2016.03.048 | Lysine-specific demethylase 4E | 1 |
| 27020306 | 10.1016/j.bmcl.2016.03.048 | Probable JmjC domain-containing histone demethylation protein 2C | 1 |
| 27020306 | 10.1016/j.bmcl.2016.03.048 | Lysine-specific demethylase 5B | 1 |
Data from ChEMBL 36 via Core Engine