Compound Detail
CHEMBL5277662
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Basic Information
| ChEMBL ID | CHEMBL5277662 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBGNHCYGFBRIRO-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
2.41
ALogP
5
HBA
2
HBD
80.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 4C CHEMBL6175 | IC50 | 6.26 | 6.26 | 550.0 | 2 |
| Lysine-specific demethylase 4E CHEMBL1293226 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
| Lysine-specific demethylase 5A CHEMBL2424504 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Lysine-specific demethylase 6B CHEMBL1938211 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 4C | IC50 | = | 550.0 | nM | 6.26 | Enzymatic Assay: The ability of test compounds to inhibit the activity of JMJD2C... | - |
| Lysine-specific demethylase 4C | IC50 | = | 550.0 | nM | 6.26 | JMJD2C Assay: The ability of test compounds to inhibit the activity of JMJD2C wa... | - |
| Lysine-specific demethylase 4E | IC50 | = | 2300.0 | nM | 5.64 | Inhibition of KDM4E (unknown origin ) incubated for 20 mins by Alphascreen assay | 34555614 |
| Lysine-specific demethylase 5A | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of N-terminal his6-tagged human KDM5A (1 to 797 residues) expressed i... | 34555614 |
| Lysine-specific demethylase 6B | IC50 | = | 19000.0 | nM | 4.72 | Inhibition of KDM6B (unknown origin ) incubated for 20 mins by Alphascreen assay | 34555614 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34555614 | 10.1016/j.ejmech.2021.113855 | Lysine-specific demethylase 6B | 1 |
| 34555614 | 10.1016/j.ejmech.2021.113855 | Lysine-specific demethylase 4E | 1 |
| 34555614 | 10.1016/j.ejmech.2021.113855 | Lysine-specific demethylase 5A | 1 |
| 34555614 | 10.1016/j.ejmech.2021.113855 | A549 | 1 |
Data from ChEMBL 36 via Core Engine