Compound Detail
CHEMBL5276550
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CN(C)C/C=C/C(=O)Nc1cccc(C(OCCN2CCCCC2)c2cc3nccc(C(=O)O)c3[nH]2)c1
Basic Information
| ChEMBL ID | CHEMBL5276550 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PATSJMHSNAENAO-JXMROGBWSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
505.6
MW (Da)
3.91
ALogP
6
HBA
3
HBD
110.8
PSA (Ų)
0.34
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 5B CHEMBL3774295 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
| Lysine-specific demethylase 5A CHEMBL2424504 | IC50 | 6.5 | 6.5 | 320.0 | 2 |
| Lysine-specific demethylase 4A CHEMBL5896 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 5B | IC50 | = | 220.0 | nM | 6.66 | Inhibition of KDM5B (unknown origin ) by Alphalisa analysis | 34555614 |
| Lysine-specific demethylase 5A | IC50 | = | 320.0 | nM | 6.5 | Inhibition of KDM5A (unknown origin ) by Alphalisa analysis | 34555614 |
| Lysine-specific demethylase 5A | IC50 | = | 320.0 | nM | 6.5 | Inhibition of KDM5A (unknown origin ) demethylase activity | 34555614 |
| Lysine-specific demethylase 4A | IC50 | = | 5300.0 | nM | 5.28 | Inhibition of KDM4A (unknown origin ) by Alphalisa analysis | 34555614 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34555614 | 10.1016/j.ejmech.2021.113855 | Lysine-specific demethylase 5A | 2 |
| 34555614 | 10.1016/j.ejmech.2021.113855 | Lysine-specific demethylase 5B | 1 |
| 34555614 | 10.1016/j.ejmech.2021.113855 | Lysine-specific demethylase 4A | 1 |
Data from ChEMBL 36 via Core Engine