Compound Detail
CHEMBL258420
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Basic Information
| ChEMBL ID | CHEMBL258420 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFOAJSBPMTZFPO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
226.3
MW (Da)
2.01
ALogP
3
HBA
1
HBD
36.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 7.24 | 7.24 | 57.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.04 | 5.04 | 9220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 37.0 | nM | 7.43 | Inhibition of MAOA | 18181565 |
| Amine oxidase [flavin-containing] B | IC50 | = | 57.0 | nM | 7.24 | Inhibition of MAOB | 18181565 |
| Unchecked | IC50 | = | 9220.0 | nM | 5.04 | Decrease in iron-induced H2O2 production | 18181565 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18181565 | 10.1021/jm7009364 | Amine oxidase [flavin-containing] A | 1 |
| 18181565 | 10.1021/jm7009364 | Amine oxidase [flavin-containing] B | 1 |
| 18181565 | 10.1021/jm7009364 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine