Compound Detail
CHEMBL5271774
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Basic Information
| ChEMBL ID | CHEMBL5271774 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRCBRLWWEHAZCY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
294.3
MW (Da)
1.72
ALogP
6
HBA
0
HBD
91.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL1951 | Ki | 10.85 | 10.85 | 0.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | Ki | 6.92 | 6.92 | 121.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | Ki | = | 0.014 | nM | 10.85 | Inhibition of human MAO-A | 31761383 |
| Amine oxidase [flavin-containing] B | Ki | = | 121.34 | nM | 6.92 | Inhibition of human MAO-B | 31761383 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31761383 | 10.1016/j.ejmech.2019.111893 | Amine oxidase [flavin-containing] A | 2 |
| 31761383 | 10.1016/j.ejmech.2019.111893 | Amine oxidase [flavin-containing] B | 2 |
| 31761383 | 10.1016/j.ejmech.2019.111893 | Unchecked | 1 |
| 31761383 | 10.1016/j.ejmech.2019.111893 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine