Compound Detail
CHEMBL4467709
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Basic Information
| ChEMBL ID | CHEMBL4467709 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZNFCZWGRZPKIE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
319.2
MW (Da)
4.66
ALogP
1
HBA
2
HBD
44.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | Ki | 6.41 | 6.41 | 390.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | Ki | = | 390.0 | nM | 6.41 | Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5... | 30522087 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30522087 | 10.1016/j.ejmech.2018.11.009 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine