Compound Detail
CHEMBL42965
METHYL PIPERATE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL42965 |
| Name | METHYL PIPERATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VOZJBFJHMHRLDN-ZUVMSYQZSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
232.2
MW (Da)
2.16
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.89
IC50 2 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2993 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL3050 | Ki | 5.89 | 5.845 | 1300.0 | 2 |
| Amine oxidase [flavin-containing] A CHEMBL3358 | IC50 | 5.56 | 5.56 | 2740.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL3681 | Ki | 4.57 | 4.57 | 27100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 230.0 | nM | 6.64 | Inhibition of MAO-B in Sprague-Dawley rat brain homogenate using kynuramine as s... | 22475561 |
| Amine oxidase [flavin-containing] B | Ki | = | 1300.0 | nM | 5.89 | Competitive inhibition of mouse brain mitochondrial MAO-B using kynuramine as su... | 27575476 |
| Amine oxidase [flavin-containing] B | Ki | = | 1600.0 | nM | 5.8 | Inhibition of mouse brain MAOB | 19969454 |
| Amine oxidase [flavin-containing] A | IC50 | = | 2740.0 | nM | 5.56 | Inhibition of MAO-A in Sprague-Dawley rat brain homogenate using kynuramine as s... | 22475561 |
| Amine oxidase [flavin-containing] A | Ki | = | 27100.0 | nM | 4.57 | Inhibition of mouse brain MAOA | 19969454 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19775895 | 10.1016/j.bmc.2009.08.050 | Hepatocyte | 7 |
| - | 10.1016/0960-894X(95)00272-U | Nucleic Acid | 6 |
| 18477507 | 10.1016/j.bmcl.2008.04.052 | 3T3-L1 | 4 |
| 19775895 | 10.1016/j.bmc.2009.08.050 | Peritoneal macrophage cell | 4 |
| 19775895 | 10.1016/j.bmc.2009.08.050 | L929 | 4 |
| 18289853 | 10.1016/j.bmcl.2008.01.101 | Hepatocyte | 3 |
| 19969454 | 10.1016/j.bmcl.2009.11.106 | Amine oxidase [flavin-containing] A | 1 |
| 19969454 | 10.1016/j.bmcl.2009.11.106 | Amine oxidase [flavin-containing] B | 1 |
| 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 |
| 27575476 | 10.1016/j.bmcl.2016.08.044 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine