Compound Detail
CHEMBL4864707
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N#Cc1ccc(-c2cc3c(CN4CCC[C@H](N)C4)coc3cc2-c2cccc([N+](=O)[O-])c2)cc1
Basic Information
| ChEMBL ID | CHEMBL4864707 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCZLYPBVRRONFU-QFIPXVFZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
452.5
MW (Da)
5.47
ALogP
6
HBA
1
HBD
109.3
PSA (Ų)
0.32
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 6.89 | 6.89 | 128.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 128.0 | nM | 6.89 | Inhibition of human recombinant LSD1 by horseradish peroxidase-coupled fluoromet... | 33945992 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33945992 | 10.1016/j.ejmech.2021.113501 | Lysine-specific histone demethylase 1A | 1 |
Data from ChEMBL 36 via Core Engine