Compound Detail
CHEMBL5276713
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Basic Information
| ChEMBL ID | CHEMBL5276713 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQRYNOVKRKLADI-LSDHHAIUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
3.10
ALogP
5
HBA
2
HBD
66.9
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LSD1/CoREST complex CHEMBL3137262 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 22.0 | nM | 7.66 | Inhibition of LSD1 (unknown origin) | 34915312 |
| LSD1/CoREST complex | IC50 | = | 22.0 | nM | 7.66 | Inhibition of recombinant human LSD1/CoREST by SPR analysis | 36537915 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34915312 | 10.1016/j.ejmech.2021.114042 | Lysine-specific histone demethylase 1A | 1 |
| 36537915 | 10.1021/acs.jmedchem.2c01324 | LSD1/CoREST complex | 1 |
Data from ChEMBL 36 via Core Engine