Compound Detail
CHEMBL4294686
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Basic Information
| ChEMBL ID | CHEMBL4294686 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDFNSLYOKGZACB-VUCTXSBTSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
282.3
MW (Da)
3.49
ALogP
3
HBA
1
HBD
55.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 6.62 | 6.62 | 237.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 237.0 | nM | 6.62 | Inhibition of MAO-A (unknown origin) using beetle luciferin derived luminogenic ... | 29247860 |
| Amine oxidase [flavin-containing] B | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of MAO-B (unknown origin) using beetle luciferin derived luminogenic ... | 29247860 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29247860 | 10.1016/j.ejmech.2017.12.001 | Lysine-specific histone demethylase 1A | 3 |
| 29247860 | 10.1016/j.ejmech.2017.12.001 | Amine oxidase [flavin-containing] A | 1 |
| 29247860 | 10.1016/j.ejmech.2017.12.001 | Amine oxidase [flavin-containing] B | 1 |
| 29247860 | 10.1016/j.ejmech.2017.12.001 | THP-1 | 1 |
Data from ChEMBL 36 via Core Engine