Compound Detail
CHEMBL126547
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Basic Information
| ChEMBL ID | CHEMBL126547 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KAJDXVUTEAONQJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
286.3
MW (Da)
2.92
ALogP
4
HBA
0
HBD
59.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2993 | IC50 | 4.79 | 4.79 | 16100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 16100.0 | nM | 4.79 | Ability to inhibit Monoamine oxidase B enzyme | 7562919 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7562919 | 10.1021/jm00019a018 | Amine oxidase [flavin-containing] A | 2 |
| 7562919 | 10.1021/jm00019a018 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine