Compound Detail
CHEMBL5430381
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Basic Information
| ChEMBL ID | CHEMBL5430381 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQYRWFWPSDKKHL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
339.8
MW (Da)
5.24
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.65
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 7.24 | 7.24 | 58.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 58.0 | nM | 7.24 | Inhibition of MAO-B (unknown origin) using kynuramine as substrate preincubated ... | 36716641 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36716641 | 10.1016/j.ejmech.2023.115142 | Amine oxidase [flavin-containing] A | 1 |
| 36716641 | 10.1016/j.ejmech.2023.115142 | Amine oxidase [flavin-containing] B | 1 |
| 36716641 | 10.1016/j.ejmech.2023.115142 | Unchecked | 1 |
| 36716641 | 10.1016/j.ejmech.2023.115142 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine