Compound Detail
CHEMBL5630122
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Basic Information
| ChEMBL ID | CHEMBL5630122 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRDUMEUBCFRQSX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
308.3
MW (Da)
2.20
ALogP
5
HBA
1
HBD
79.2
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 220.0 | nM | 6.66 | Inhibition of human recombinant MAO-B | 36857812 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36857812 | 10.1016/j.ejmech.2023.115216 | Amine oxidase [flavin-containing] A | 2 |
| 36857812 | 10.1016/j.ejmech.2023.115216 | Amyloid-beta precursor protein | 2 |
| 36857812 | 10.1016/j.ejmech.2023.115216 | Amine oxidase [flavin-containing] B | 1 |
| 36857812 | 10.1016/j.ejmech.2023.115216 | Unchecked | 1 |
| 36857812 | 10.1016/j.ejmech.2023.115216 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine