Compound Detail
CHEMBL54442
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 | CHEMBL54442 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SBCKSUSKXKZAGT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
1.81
ALogP
6
HBA
1
HBD
84.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL3358 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 7.0 | nM | 8.15 | Inhibitory concentration against rat brain mitochondrial monoamine oxidase A | 8627609 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8627609 | 10.1021/jm950595m | Amine oxidase [flavin-containing] A | 2 |
| 8627609 | 10.1021/jm950595m | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine