Compound Detail
CHEMBL4866427
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Basic Information
| ChEMBL ID | CHEMBL4866427 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVBHIMQACIXDFV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
375.5
MW (Da)
5.25
ALogP
2
HBA
1
HBD
12.0
PSA (Ų)
0.55
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 5.06 | 4.925 | 8780.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 8780.0 | nM | 5.06 | Inhibition of human MAO-A | 33887441 |
| Amine oxidase [flavin-containing] B | IC50 | = | 16130.0 | nM | 4.79 | Inhibition of human MAO-B | 33887441 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33887441 | 10.1016/j.bmcl.2021.128051 | Amine oxidase [flavin-containing] B | 2 |
| 33887441 | 10.1016/j.bmcl.2021.128051 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine