Compound Detail
CHEMBL457218
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Basic Information
| ChEMBL ID | CHEMBL457218 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GANVJBSNVYJUKL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
277.4
MW (Da)
3.00
ALogP
3
HBA
0
HBD
38.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2993 | IC50 | 5.76 | 5.76 | 1750.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL3358 | IC50 | 5.28 | 5.28 | 5210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 1750.0 | nM | 5.76 | Inhibition of MAO-B in Sprague-Dawley rat brain homogenate using kynuramine as s... | 22475561 |
| Amine oxidase [flavin-containing] A | IC50 | = | 5210.0 | nM | 5.28 | Inhibition of MAO-A in Sprague-Dawley rat brain homogenate using kynuramine as s... | 22475561 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19523722 | 10.1016/j.ejmech.2009.05.004 | Quinolone resistance protein NorA | 5 |
| 18848780 | 10.1016/j.bmc.2008.09.042 | Quinolone resistance protein NorA | 2 |
| 22475561 | 10.1016/j.bmcl.2012.02.090 | Amine oxidase [flavin-containing] A | 1 |
| 22475561 | 10.1016/j.bmcl.2012.02.090 | Amine oxidase [flavin-containing] B | 1 |
| 22475561 | 10.1016/j.bmcl.2012.02.090 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine