Compound Detail
CHEMBL5219373
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Basic Information
| ChEMBL ID | CHEMBL5219373 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYLXXMMNQVHYMK-CPNJWEJPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
378.4
MW (Da)
3.48
ALogP
5
HBA
1
HBD
58.6
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 6.93 | 6.93 | 118.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 5.03 | 5.03 | 9300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 118.0 | nM | 6.93 | Inhibition of human MAO-A | 36162779 |
| Amine oxidase [flavin-containing] B | IC50 | = | 9300.0 | nM | 5.03 | Inhibition of recombinant human MAO-B | 36162779 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36162779 | 10.1016/j.bmcl.2022.128994 | Unchecked | 1 |
| 36162779 | 10.1016/j.bmcl.2022.128994 | Amine oxidase [flavin-containing] B | 1 |
| 36162779 | 10.1016/j.bmcl.2022.128994 | Amine oxidase [flavin-containing] A | 1 |
Data from ChEMBL 36 via Core Engine