Compound Detail
CHEMBL3094016
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Basic Information
| ChEMBL ID | CHEMBL3094016 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GLNKGTPRCAPYNV-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
359.8
MW (Da)
2.89
ALogP
5
HBA
1
HBD
91.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2993 | IC50 | 8.51 | 8.49 | 3.1 | 3 |
| Amine oxidase [flavin-containing] A CHEMBL3358 | IC50 | 4.62 | 4.62 | 23988.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 3.1 | nM | 8.51 | Inhibition of Sprague-Dawley rat MAO-B using Kynuramine as substrate assessed as... | 24231308 |
| Amine oxidase [flavin-containing] B | IC50 | = | 3.311 | nM | 8.48 | Inhibition of Sprague-Dawley rat MAO-B using Kynuramine as substrate assessed as... | 24231308 |
| Amine oxidase [flavin-containing] B | IC50 | = | 3.311 | nM | 8.48 | Inhibition of Sprague-Dawley rat MAO-B in brain mitochondrial homogenate assesse... | 25462230 |
| Amine oxidase [flavin-containing] A | IC50 | = | 23988.33 | nM | 4.62 | Inhibition of Sprague-Dawley rat MAO-A using Kynuramine as substrate assessed as... | 24231308 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24231308 | 10.1016/j.ejmech.2013.09.034 | Amine oxidase [flavin-containing] B | 2 |
| 24231308 | 10.1016/j.ejmech.2013.09.034 | Unchecked | 1 |
| 24231308 | 10.1016/j.ejmech.2013.09.034 | Amine oxidase [flavin-containing] A | 1 |
| 25462230 | 10.1016/j.ejmech.2014.10.029 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine