Compound Detail
CHEMBL5590453
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Basic Information
| ChEMBL ID | CHEMBL5590453 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NAHPPQUEIMCROL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
344.5
MW (Da)
5.40
ALogP
4
HBA
1
HBD
41.0
PSA (Ų)
0.69
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 6.21 | 6.21 | 620.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 620.0 | nM | 6.21 | Inhibition of recombinant LSD1 (unknown origin) expressed in BL21(DE3) cells usi... | 39264726 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39264726 | 10.1021/acs.jmedchem.4c00972 | Lysine-specific histone demethylase 1A | 2 |
Data from ChEMBL 36 via Core Engine