Compound Detail
CHEMBL4240782
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Basic Information
| ChEMBL ID | CHEMBL4240782 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKVLARLGMKELSE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
345.4
MW (Da)
3.14
ALogP
3
HBA
2
HBD
82.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of N-terminal truncated recombinant human LSD1 (151 to 852 residues) ... | 30153955 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30153955 | 10.1016/j.bmc.2018.08.026 | NB-4 | 1 |
| 30153955 | 10.1016/j.bmc.2018.08.026 | Lysine-specific histone demethylase 1A | 1 |
Data from ChEMBL 36 via Core Engine