Compound Detail
CHEMBL145748
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 | CHEMBL145748 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CJRBQVCIDSDTGK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
339.8
MW (Da)
3.49
ALogP
6
HBA
0
HBD
76.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2993 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 100.0 | nM | 7.0 | In vitro inhibitory activity against rat brain Monoamine oxidase B | 7490728 |
| Amine oxidase [flavin-containing] B | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of human MAO-B | 29335210 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7490728 | 10.1021/jm00024a006 | Amine oxidase [flavin-containing] B | 9 |
| 7490728 | 10.1021/jm00024a006 | Amine oxidase [flavin-containing] A | 5 |
| 7490728 | 10.1021/jm00024a006 | Unchecked | 1 |
| 29335210 | 10.1016/j.ejmech.2018.01.003 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine