Compound Detail
CHEMBL5812889
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Basic Information
| ChEMBL ID | CHEMBL5812889 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUIDEAUKGBSDSB-QORUQQEXSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
345.5
MW (Da)
4.55
ALogP
2
HBA
3
HBD
53.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 5.07 | 5.07 | 8480.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 5.05 | 5.05 | 8930.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 27.0 | nM | 7.57 | Biological Assays-Inhibition of LSD1: Briefly, a fixed amount of LSD1 was incuba... | - |
| Amine oxidase [flavin-containing] B | IC50 | = | 8480.0 | nM | 5.07 | Biological Assays-Inhibition of LSD1: Briefly, a fixed amount of LSD1 was incuba... | - |
| Amine oxidase [flavin-containing] A | IC50 | = | 8930.0 | nM | 5.05 | Biological Assays-Inhibition of LSD1: Briefly, a fixed amount of LSD1 was incuba... | - |
Data from ChEMBL 36 via Core Engine