Compound Detail
CHEMBL488076
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Basic Information
| ChEMBL ID | CHEMBL488076 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLYIBZRYQJEBHZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
272.3
MW (Da)
2.56
ALogP
4
HBA
0
HBD
56.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 6.78 | 6.78 | 165.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 6.63 | 6.63 | 235.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 165.0 | nM | 6.78 | Inhibition of human recombinant MAOB by fluorimetric method | 18834112 |
| Amine oxidase [flavin-containing] A | IC50 | = | 235.0 | nM | 6.63 | Inhibition of human recombinant MAOA by fluorimetric method | 18834112 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18834112 | 10.1021/jm800656v | Amine oxidase [flavin-containing] A | 1 |
| 18834112 | 10.1021/jm800656v | Unchecked | 1 |
| 18834112 | 10.1021/jm800656v | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine