Compound Detail
CHEMBL4453259
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 | CHEMBL4453259 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQNSUDIGIIGIOL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
4.39
ALogP
5
HBA
2
HBD
79.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL3050 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 800.0 | nM | 6.1 | Inhibition of mouse MAO-B preincubated for 15 mins followed by addition of kynur... | 27575476 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27575476 | 10.1016/j.bmcl.2016.08.044 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine