Compound Detail
CHEMBL4085006
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Basic Information
| ChEMBL ID | CHEMBL4085006 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BREJJROCOWWSOP-VRJTXETASA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
404.5
MW (Da)
3.06
ALogP
5
HBA
1
HBD
78.2
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.05
Kd 1 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | Kd | 5.77 | 5.77 | 1700.0 | 1 |
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | Kd | = | 1700.0 | nM | 5.77 | Binding affinity to LSD1 (unknown origin) by SPR analysis | 28927796 |
| Lysine-specific histone demethylase 1A | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of recombinant human N-terminal truncated LSD1 (151 to 852 residues) ... | 28927796 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28927796 | 10.1016/j.bmcl.2017.08.052 | Lysine-specific histone demethylase 1A | 2 |
Data from ChEMBL 36 via Core Engine