Compound Detail
CHEMBL5439167
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Basic Information
| ChEMBL ID | CHEMBL5439167 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICHYBLJUAOURPM-RBUKOAKNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
306.4
MW (Da)
3.79
ALogP
2
HBA
2
HBD
41.1
PSA (Ų)
0.85
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 1.4 | nM | 8.85 | Inhibition of LSD1 (unknown origin) | 35749987 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35749987 | 10.1016/j.ejmech.2022.114522 | ADMET | 1 |
| 35749987 | 10.1016/j.ejmech.2022.114522 | Lysine-specific histone demethylase 1A | 1 |
Data from ChEMBL 36 via Core Engine