Compound Detail
CHEMBL4588399
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Basic Information
| ChEMBL ID | CHEMBL4588399 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YAUZEVNDGXXXQG-RELWKKBWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
428.5
MW (Da)
1.41
ALogP
6
HBA
2
HBD
102.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 8.31 | 8.31 | 4.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 4.9 | nM | 8.31 | Inhibition of LSD1 (unknown origin) | 27524309 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27524309 | 10.1016/j.bmcl.2015.06.054 | Lysine-specific histone demethylase 1A | 3 |
Data from ChEMBL 36 via Core Engine