Compound Detail
CHEMBL218059
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Basic Information
| ChEMBL ID | CHEMBL218059 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLPDBGOPQLWLLN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
254.7
MW (Da)
4.40
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2756 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL3254 | IC50 | 6.52 | 6.52 | 302.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 6.026 | nM | 8.22 | Inhibition of MAO-B in bovine brain mitochondria fluorimetric method | 17266193 |
| Amine oxidase [flavin-containing] A | IC50 | = | 302.0 | nM | 6.52 | Inhibition of MAO-A in bovine brain mitochondria by fluorimetric method | 17266193 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18024137 | 10.1016/j.bmc.2007.10.090 | NON-PROTEIN TARGET | 6 |
| 37950965 | 10.1016/j.ejmech.2023.115913 | No relevant target | 2 |
| 17266193 | 10.1021/jm060868l | Amine oxidase [flavin-containing] A | 1 |
| 17266193 | 10.1021/jm060868l | Amine oxidase [flavin-containing] B | 1 |
| 17266193 | 10.1021/jm060868l | Unchecked | 1 |
| 18024137 | 10.1016/j.bmc.2007.10.090 | Unchecked | 1 |
| 37950965 | 10.1016/j.ejmech.2023.115913 | HT-1080 | 1 |
Data from ChEMBL 36 via Core Engine