Compound Detail
CHEMBL414637
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 | CHEMBL414637 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXDUCJHCTJGKBR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
258.2
MW (Da)
3.54
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 9.5 | 9.5 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 0.318 | nM | 9.5 | Inhibitory concentration against Monoamine oxidase B was measured | 12467619 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12467619 | 10.1016/s0960-894x(02)00838-7 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine