Compound Detail
CHEMBL4864153
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Basic Information
| ChEMBL ID | CHEMBL4864153 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZFUEPUTWMEALQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
345.4
MW (Da)
4.49
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 5.27 | 5.23 | 5410.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 5410.0 | nM | 5.27 | Inhibition of human MAO-A | 33887441 |
| Amine oxidase [flavin-containing] B | IC50 | = | 6410.0 | nM | 5.19 | 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