Compound Detail
CHEMBL221629
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Basic Information
| ChEMBL ID | CHEMBL221629 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVQYJNATMYMBAT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
256.2
MW (Da)
4.02
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL3254 | IC50 | 5.2 | 5.2 | 6309.6 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2756 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 6309.57 | nM | 5.2 | Inhibition of MAO-A in bovine brain mitochondria by fluorimetric method | 17266193 |
| Amine oxidase [flavin-containing] B | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of MAO-B in bovine brain mitochondria fluorimetric method | 17266193 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17266193 | 10.1021/jm060868l | Amine oxidase [flavin-containing] A | 1 |
| 17266193 | 10.1021/jm060868l | Unchecked | 1 |
| 17266193 | 10.1021/jm060868l | Amine oxidase [flavin-containing] B | 1 |
| 30015075 | 10.1016/j.ejmech.2018.07.007 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine