Compound Detail
CHEMBL139947
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Basic Information
| ChEMBL ID | CHEMBL139947 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEWCOMFVOAMVCN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
241.3
MW (Da)
2.47
ALogP
2
HBA
0
HBD
18.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL1951 | Ki | 7.82 | 7.49 | 15.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | Ki | = | 15.0 | nM | 7.82 | Binding affinity to MAO-A (unknown origin) assessed as inhibition constant | 33528252 |
| Amine oxidase [flavin-containing] A | Ki | = | 69.0 | nM | 7.16 | Binding affinity to MAO-A (unknown origin) assessed as inhibition constant | 33528252 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33528252 | 10.1021/acs.jmedchem.0c01887 | Amine oxidase [flavin-containing] A | 2 |
| 6708048 | 10.1021/jm00370a007 | Nucleic Acid | 1 |
Data from ChEMBL 36 via Core Engine