Compound Detail
CHEMBL86837
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Basic Information
| ChEMBL ID | CHEMBL86837 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INAOSTJXLBNFMV-LCYFTJDESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
300.2
MW (Da)
3.94
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL3254 | IC50 | 4.74 | 4.74 | 18270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 18270.0 | nM | 4.74 | Inhibition of MAO-A in bovine brain mitochondria using serotonin as substrate pr... | 26428872 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26428872 | 10.1016/j.bmcl.2015.09.048 | Mus musculus | 4 |
| 9651163 | 10.1021/jm980123i | Platelet-derived growth factor receptor beta | 1 |
| 9651163 | 10.1021/jm980123i | Vascular endothelial growth factor receptor 1 | 1 |
| 9651163 | 10.1021/jm980123i | Epidermal growth factor receptor | 1 |
| 9651163 | 10.1021/jm980123i | Receptor tyrosine-protein kinase erbB-2 | 1 |
| 9651163 | 10.1021/jm980123i | Insulin-like growth factor 1 receptor | 1 |
| 26428872 | 10.1016/j.bmcl.2015.09.048 | Amine oxidase [flavin-containing] A | 1 |
Data from ChEMBL 36 via Core Engine