Compound Detail
CHEMBL342327
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Basic Information
| ChEMBL ID | CHEMBL342327 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QETCJXAGEMNSOG-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
305.3
MW (Da)
3.86
ALogP
4
HBA
0
HBD
63.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 8.71 | 8.71 | 1.9 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2993 | IC50 | 7.64 | 7.64 | 22.9 | 2 |
| Amine oxidase [flavin-containing] A CHEMBL3358 | IC50 | 6.38 | 6.38 | 416.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 1.95 | nM | 8.71 | Inhibition of human supersomes MAOB | 17034132 |
| Amine oxidase [flavin-containing] B | IC50 | = | 22.91 | nM | 7.64 | Inhibitory effect on Monoamine oxidase B, SD on IC50 values < 10% | 11123983 |
| Amine oxidase [flavin-containing] B | IC50 | = | 22.91 | nM | 7.64 | Inhibition of rat brain MAOB | 17034132 |
| Amine oxidase [flavin-containing] A | IC50 | = | 416.87 | nM | 6.38 | Inhibitory effect on monoamine oxidase A, SD on IC50 values < 10% | 11123983 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17034132 | 10.1021/jm060441e | Amine oxidase [flavin-containing] B | 2 |
| 11123983 | 10.1021/jm001028o | Amine oxidase [flavin-containing] A | 1 |
| 11123983 | 10.1021/jm001028o | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine