Compound Detail
CHEMBL4851421
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CN(CCCN)Cc1coc2cc(-c3cccc([N+](=O)[O-])c3)c(-c3ccc(C#N)cc3)cc12
Basic Information
| ChEMBL ID | CHEMBL4851421 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMRXYQWAYBWYCX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
440.5
MW (Da)
5.33
ALogP
6
HBA
1
HBD
109.3
PSA (Ų)
0.29
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 6.66 | 6.66 | 221.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 221.0 | nM | 6.66 | 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