Compound Detail
CHEMBL459523
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Basic Information
| ChEMBL ID | CHEMBL459523 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MVMMGVPSTRNMSV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
190.2
MW (Da)
2.12
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 4.15 | 4.15 | 71320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 71320.0 | nM | 4.15 | Inhibition of human recombinant MAOB by fluorimetric method | 18834112 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21680063 | 10.1016/j.ejmech.2011.05.052 | J774 | 9 |
| 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