Compound Detail
CHEMBL5282135
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Basic Information
| ChEMBL ID | CHEMBL5282135 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGWDAWTZAYXPLB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
389.5
MW (Da)
5.68
ALogP
2
HBA
1
HBD
27.6
PSA (Ų)
0.58
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL1951 | Ki | 10.0 | 10.0 | 0.1 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | Ki | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | Ki | = | 0.1 | nM | 10.0 | Inhibition of human MAO-A by spectrofluorimetric analysis | 32795767 |
| Amine oxidase [flavin-containing] B | Ki | = | 200.0 | nM | 6.7 | Inhibition of human MAO-B by spectrofluorimetric analysis | 32795767 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32795767 | 10.1016/j.ejmech.2020.112666 | Amine oxidase [flavin-containing] A | 1 |
| 32795767 | 10.1016/j.ejmech.2020.112666 | Amine oxidase [flavin-containing] B | 1 |
| 32795767 | 10.1016/j.ejmech.2020.112666 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine