Compound Detail
CHEMBL1222280
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1222280 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BOQIVKJIDMTNLR-XFXZXTDPSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
1
Known Names
Molecular Properties
291.4
MW (Da)
1.75
ALogP
5
HBA
1
HBD
66.6
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 6.71 | 6.71 | 195.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 6.71 | 6.71 | 195.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 5.16 | 5.16 | 6880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 195.0 | nM | 6.71 | Inhibition of human recombinant MAO-B after 15 mins | 20650633 |
| Unchecked | IC50 | = | 195.0 | nM | 6.71 | Inhibition of ERK in human HeLa cells | 20650633 |
| Amine oxidase [flavin-containing] B | IC50 | = | 195.0 | nM | 6.71 | Inhibition of human recombinant MAOB by amplex red assay | 21742494 |
| Amine oxidase [flavin-containing] B | IC50 | = | 195.0 | nM | 6.71 | Inhibition of recombinant human MAO-B | 36162779 |
| Amine oxidase [flavin-containing] A | IC50 | = | 6880.0 | nM | 5.16 | Inhibition of human recombinant MAOA assessed as inhibition of kynuramine conver... | 21742494 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20650633 | 10.1016/j.bmcl.2010.06.128 | Amine oxidase [flavin-containing] B | 1 |
| 20650633 | 10.1016/j.bmcl.2010.06.128 | Unchecked | 1 |
| 21742494 | 10.1016/j.bmcl.2011.06.060 | Amine oxidase [flavin-containing] B | 1 |
| 21742494 | 10.1016/j.bmcl.2011.06.060 | Amine oxidase [flavin-containing] A | 1 |
| 36162779 | 10.1016/j.bmcl.2022.128994 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine