Compound Detail
CHEMBL2312975
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Basic Information
| ChEMBL ID | CHEMBL2312975 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMEKXQYELFBFSO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
333.8
MW (Da)
1.81
ALogP
6
HBA
0
HBD
58.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 7.32 | 7.32 | 48.1 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 5.54 | 5.54 | 2870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 48.1 | nM | 7.32 | Inhibition of human MAOB after 1 hr by luminescence assay | 23281824 |
| Amine oxidase [flavin-containing] A | IC50 | = | 2870.0 | nM | 5.54 | Inhibition of human MAOA after 1 hr by luminescence assay | 23281824 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23281824 | 10.1021/jm301686s | Amine oxidase [flavin-containing] B | 2 |
| 23281824 | 10.1021/jm301686s | Amine oxidase [flavin-containing] A | 1 |
| 23281824 | 10.1021/jm301686s | Adenosine receptor A2a | 1 |
Data from ChEMBL 36 via Core Engine