Compound Detail
CHEMBL5277129
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Basic Information
| ChEMBL ID | CHEMBL5277129 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CEGMXGCEQZMHBD-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
429.5
MW (Da)
2.30
ALogP
7
HBA
2
HBD
108.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 5B CHEMBL3774295 | IC50 | 8.05 | 6.9067 | 9.0 | 3 |
| Lysine-specific demethylase 5A CHEMBL2424504 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Lysine-specific demethylase 5C CHEMBL2163176 | IC50 | 6.11 | 6.11 | 778.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 5B | IC50 | = | 9.0 | nM | 8.05 | Inhibition of KDM5B (unknown origin) | 32883639 |
| Lysine-specific demethylase 5B | IC50 | = | 20.0 | nM | 7.7 | Inhibition of KDM5B (unknown origin ) by Alphalisa analysis | 34555614 |
| Lysine-specific demethylase 5A | IC50 | = | 30.0 | nM | 7.52 | Inhibition of KDM5A (unknown origin ) by Alphalisa analysis | 34555614 |
| Lysine-specific demethylase 5C | IC50 | = | 778.0 | nM | 6.11 | Inhibition of KDM5C (unknown origin ) by Alphalisa analysis | 34555614 |
| Lysine-specific demethylase 5B | IC50 | = | 10600.0 | nM | 4.97 | Inhibition of KDM5B in HEK293 cells by NanoBRET assay | 32883639 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32883639 | 10.1016/j.ejmech.2020.112760 | Lysine-specific demethylase 5B | 2 |
| 34555614 | 10.1016/j.ejmech.2021.113855 | Lysine-specific demethylase 5A | 1 |
| 34555614 | 10.1016/j.ejmech.2021.113855 | Lysine-specific demethylase 5B | 1 |
| 34555614 | 10.1016/j.ejmech.2021.113855 | Lysine-specific demethylase 5C | 1 |
| 34555614 | 10.1016/j.ejmech.2021.113855 | Caco-2 | 1 |
Data from ChEMBL 36 via Core Engine