Compound Detail
CHEMBL4289507
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Basic Information
| ChEMBL ID | CHEMBL4289507 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSOJSZXQRJGBCW-CABCVRRESA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
225.3
MW (Da)
2.87
ALogP
2
HBA
2
HBD
46.2
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.7
Ki 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 7.7 | 6.8725 | 20.0 | 4 |
| Lysine-specific histone demethylase 1A CHEMBL6136 | Ki | 7.3 | 7.3 | 50.0 | 1 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 5.59 | 5.59 | 2554.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 20.0 | nM | 7.7 | Inhibition of human recombinant LSD1 using dimethylated H3K4 peptide as substrat... | 24237195 |
| Lysine-specific histone demethylase 1A | IC50 | = | 20.0 | nM | 7.7 | Inhibition of LSD1 (unknown origin) | 29247860 |
| Lysine-specific histone demethylase 1A | IC50 | = | 20.0 | nM | 7.7 | Inhibition of human recombinant LSD1 (158 to end residues) expressed in Escheric... | 33479691 |
| Lysine-specific histone demethylase 1A | Ki | = | 50.0 | nM | 7.3 | LSD1 Assay: Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes,... | - |
| Histone deacetylase 6 | IC50 | = | 2554.0 | nM | 5.59 | Determination of IC50 values for inhibition of enzymatic assay of human HDAC6 wi... | - |
| Lysine-specific histone demethylase 1A | IC50 | = | 40500.0 | nM | 4.39 | Inhibition of human recombinant LSD1 by horseradish peroxidase-coupled fluoromet... | 33945992 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 4 |
| 33691794 | 10.1186/s13148-021-01037-1 | A549 | 4 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 33945992 | 10.1016/j.ejmech.2021.113501 | Lysine-specific histone demethylase 1A | 2 |
| - | 10.6019/CHEMBL5096127 | Schistosoma mansoni | 2 |
| 24237195 | 10.1021/jm400870h | Lysine-specific histone demethylase 1A | 1 |
| 29247860 | 10.1016/j.ejmech.2017.12.001 | Lysine-specific histone demethylase 1A | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 33479691 | 10.1039/d0md00141d | Lysine-specific histone demethylase 1A | 1 |
Data from ChEMBL 36 via Core Engine