Compound Detail
CHEMBL5400159
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CCC1(Cn2ccc3c(-c4ccc(C#N)cc4)c(-c4ccc5c(cnn5C)c4)ncc32)CCNCC1
Basic Information
| ChEMBL ID | CHEMBL5400159 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMFISDWJCCPQTB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
474.6
MW (Da)
5.91
ALogP
6
HBA
1
HBD
71.5
PSA (Ų)
0.34
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 6.92 | 6.92 | 121.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 121.0 | nM | 6.92 | Inhibition of human recombinant LSD1 expressed in Escherichia coli using H3K4me2... | 37849536 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37849536 | 10.1021/acsmedchemlett.3c00292 | Lysine-specific histone demethylase 1A | 1 |
Data from ChEMBL 36 via Core Engine