Compound Detail
CHEMBL5286281
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Basic Information
| ChEMBL ID | CHEMBL5286281 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMDXCUDSGQRSPY-NTEUORMPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
289.3
MW (Da)
2.17
ALogP
7
HBA
1
HBD
94.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 5.21 | 5.21 | 6120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 6120.0 | nM | 5.21 | Inhibition of recombinant human MAO-A using kynuramine as substrate incubated fo... | 32942081 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32942081 | 10.1016/j.ejmech.2020.112787 | Amine oxidase [flavin-containing] A | 1 |
Data from ChEMBL 36 via Core Engine