Compound Detail
CHEMBL4285048
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Basic Information
| ChEMBL ID | CHEMBL4285048 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRLLHILOPOQXRW-BDAKNGLRSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
212.1
MW (Da)
2.26
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.43
Ki 2 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | Ki | 5.54 | 5.54 | 2900.0 | 1 |
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | Ki | = | 2900.0 | nM | 5.54 | Inhibition of LSD1 (unknown origin) (172 to 833 residues) expressed in baculovir... | 36105323 |
| Lysine-specific histone demethylase 1A | IC50 | = | 3700.0 | nM | 5.43 | Inhibition of LSD1 (unknown origin) | 29247860 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of human ERG by fluorescence polarization assay | 36105323 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29247860 | 10.1016/j.ejmech.2017.12.001 | Lysine-specific histone demethylase 1A | 1 |
| 36105323 | 10.1021/acsmedchemlett.2c00294 | Lysine-specific histone demethylase 1A | 1 |
| 36105323 | 10.1021/acsmedchemlett.2c00294 | Lysine-specific histone demethylase 2 | 1 |
| 36105323 | 10.1021/acsmedchemlett.2c00294 | Unchecked | 1 |
| 36105323 | 10.1021/acsmedchemlett.2c00294 | CCRF-CEM | 1 |
| 36105323 | 10.1021/acsmedchemlett.2c00294 | Jurkat | 1 |
| 36105323 | 10.1021/acsmedchemlett.2c00294 | WI-38 | 1 |
| 36105323 | 10.1021/acsmedchemlett.2c00294 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine