Compound Detail
CHEMBL128029
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Basic Information
| ChEMBL ID | CHEMBL128029 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBGASZYETNGMQF-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
4.95
ALogP
3
HBA
0
HBD
42.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 5.89 | 5.89 | 1288.2 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2993 | IC50 | 5.02 | 5.02 | 9500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 1288.25 | nM | 5.89 | Inhibition of human supersomes MAOB | 17034132 |
| Amine oxidase [flavin-containing] B | IC50 | = | 9500.0 | nM | 5.02 | Ability to inhibit Monoamine oxidase B enzyme | 7562919 |
| Amine oxidase [flavin-containing] B | IC50 | = | 9549.93 | nM | 5.02 | Inhibition of rat brain MAOB | 17034132 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7562919 | 10.1021/jm00019a018 | Amine oxidase [flavin-containing] A | 2 |
| 17034132 | 10.1021/jm060441e | Amine oxidase [flavin-containing] B | 2 |
| 7562919 | 10.1021/jm00019a018 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine