Compound Detail
CHEMBL257368
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Basic Information
| ChEMBL ID | CHEMBL257368 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRUPXSFFRGFAGL-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
281.4
MW (Da)
1.69
ALogP
4
HBA
1
HBD
39.6
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 4.19 | 4.19 | 64200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 12000.0 | nM | 4.92 | Decrease in iron-induced H2O2 production | 18181565 |
| Amine oxidase [flavin-containing] B | IC50 | = | 64200.0 | nM | 4.19 | Inhibition of MAOB | 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