Compound Detail
CHEMBL4860050
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Basic Information
| ChEMBL ID | CHEMBL4860050 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMRVXAAYUFBVIU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
5.21
ALogP
2
HBA
1
HBD
12.0
PSA (Ų)
0.58
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 8.33 | 6.72 | 4.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 4.7 | nM | 8.33 | Inhibition of human MAO-B | 33887441 |
| Amine oxidase [flavin-containing] B | IC50 | = | 7710.0 | nM | 5.11 | Inhibition of human MAO-A | 33887441 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33887441 | 10.1016/j.bmcl.2021.128051 | SH-SY5Y | 3 |
| 33887441 | 10.1016/j.bmcl.2021.128051 | BV-2 | 3 |
| 33887441 | 10.1016/j.bmcl.2021.128051 | Mus musculus | 3 |
| 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