Compound Detail
CHEMBL5569973
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Basic Information
| ChEMBL ID | CHEMBL5569973 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVDVVBQKFXBYJN-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
350.5
MW (Da)
1.45
ALogP
5
HBA
2
HBD
85.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 5A CHEMBL2424504 | IC50 | 8.91 | 8.91 | 1.2 | 1 |
| Lysine-specific demethylase 5B CHEMBL3774295 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Lysine-specific demethylase 5C CHEMBL2163176 | IC50 | 7.87 | 7.87 | 13.6 | 1 |
| Lysine-specific demethylase 4A CHEMBL5896 | IC50 | 6.41 | 6.41 | 389.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 5A | IC50 | = | 1.22 | nM | 8.91 | Inhibition of KDM5A (unknown origin) incubated for 2 hrs by Alphascreen assay | 38168630 |
| Lysine-specific demethylase 5B | IC50 | = | 1.99 | nM | 8.7 | Inhibition of KDM5B (unknown origin) incubated for 2 hrs by Alphascreen assay | 38168630 |
| Lysine-specific demethylase 5C | IC50 | = | 13.6 | nM | 7.87 | Inhibition of KDM5C (unknown origin) incubated for 2 hrs by Alphascreen assay | 38168630 |
| Lysine-specific demethylase 4A | IC50 | = | 389.0 | nM | 6.41 | Inhibition of KDM4A (unknown origin) incubated for 2 hrs by Alphascreen assay | 38168630 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38168630 | 10.1016/j.bmc.2023.117579 | Lysine-specific demethylase 5B | 2 |
| 38168630 | 10.1016/j.bmc.2023.117579 | Lysine-specific demethylase 5A | 1 |
| 38168630 | 10.1016/j.bmc.2023.117579 | Lysine-specific demethylase 5C | 1 |
| 38168630 | 10.1016/j.bmc.2023.117579 | Lysine-specific demethylase 3A | 1 |
| 38168630 | 10.1016/j.bmc.2023.117579 | Lysine-specific demethylase 4A | 1 |
| 38168630 | 10.1016/j.bmc.2023.117579 | Lysine-specific demethylase 6B | 1 |
Data from ChEMBL 36 via Core Engine