Compound Detail
CHEMBL3621850
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Basic Information
| ChEMBL ID | CHEMBL3621850 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJAMZQQVFSQCDV-CCEZHUSRSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
505.6
MW (Da)
4.36
ALogP
7
HBA
4
HBD
128.2
PSA (Ų)
0.14
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 4C CHEMBL6175 | IC50 | 5.5 | 5.5 | 3162.3 | 1 |
| Lysine-specific demethylase 4E CHEMBL1293226 | IC50 | 5.2 | 5.2 | 6309.6 | 1 |
| Lysine-specific demethylase 6B CHEMBL1938211 | IC50 | 4.4 | 4.4 | 39810.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 4C | IC50 | = | 3162.28 | nM | 5.5 | Inhibition of KDM4C (unknown origin) | 26682034 |
| Lysine-specific demethylase 4E | IC50 | = | 6309.57 | nM | 5.2 | Inhibition of KDM4E (unknown origin) | 26682034 |
| Lysine-specific demethylase 6B | IC50 | = | 39810.72 | nM | 4.4 | Inhibition of KDM6B (unknown origin) | 26682034 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26682034 | 10.1039/c4md00291a | Lysine-specific demethylase 4C | 1 |
| 26682034 | 10.1039/c4md00291a | Lysine-specific demethylase 4E | 1 |
| 26682034 | 10.1039/c4md00291a | Lysine-specific demethylase 6B | 1 |
Data from ChEMBL 36 via Core Engine