Compound Detail
CHEMBL5278205
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Basic Information
| ChEMBL ID | CHEMBL5278205 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGMIWCIVXVXHDU-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
290.7
MW (Da)
2.61
ALogP
3
HBA
2
HBD
79.3
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 5B CHEMBL3774295 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| Lysine-specific demethylase 5A CHEMBL2424504 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
| Lysine-specific demethylase 4C CHEMBL6175 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 5B | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of N-terminal his6-tagged human KDM5B (1 to 769 residues) expressed i... | 34555614 |
| Lysine-specific demethylase 5A | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of N-terminal his6-tagged human KDM5A (1 to 797 residues) expressed i... | 34555614 |
| Lysine-specific demethylase 4C | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of KDM4C (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 5B | 1 |
| 34555614 | 10.1016/j.ejmech.2021.113855 | Lysine-specific demethylase 5A | 1 |
| 34555614 | 10.1016/j.ejmech.2021.113855 | A549 | 1 |
| 34555614 | 10.1016/j.ejmech.2021.113855 | Lysine-specific demethylase 4C | 1 |
Data from ChEMBL 36 via Core Engine