Compound Detail
CHEMBL372943
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Basic Information
| ChEMBL ID | CHEMBL372943 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UDCMJKJFGCMHHR-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
258.3
MW (Da)
2.60
ALogP
4
HBA
0
HBD
56.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 7.4 | 7.395 | 40.0 | 2 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 5.25 | 5.25 | 5570.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 40.0 | nM | 7.4 | Inhibition of MAO-A activity | 16451079 |
| Amine oxidase [flavin-containing] A | IC50 | = | 40.5 | nM | 7.39 | Inhibition of human recombinant MAOA by fluorimetric method | 18834112 |
| Amine oxidase [flavin-containing] B | IC50 | = | 5570.0 | nM | 5.25 | Inhibition of human recombinant MAOB by fluorimetric method | 18834112 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16451079 | 10.1021/jm0509849 | Amine oxidase [flavin-containing] A | 1 |
| 18834112 | 10.1021/jm800656v | Amine oxidase [flavin-containing] A | 1 |
| 18834112 | 10.1021/jm800656v | Unchecked | 1 |
| 18834112 | 10.1021/jm800656v | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine