Compound Detail
CHEMBL277140
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Basic Information
| ChEMBL ID | CHEMBL277140 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMLKIELBGUYKNC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
382.4
MW (Da)
4.27
ALogP
8
HBA
0
HBD
107.1
PSA (Ų)
0.34
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL3358 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2993 | IC50 | 5.37 | 5.37 | 4300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 2600.0 | nM | 5.58 | In vitro inhibitory activity on rat brain by monoamine oxidase A (MAO-A) | 8487255 |
| Amine oxidase [flavin-containing] B | IC50 | = | 4300.0 | nM | 5.37 | In vitro inhibitory activity on rat brain MAO-B. | 8487255 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8487255 | 10.1021/jm00061a006 | Amine oxidase [flavin-containing] A | 1 |
| 8487255 | 10.1021/jm00061a006 | Amine oxidase [flavin-containing] B | 1 |
| 8487255 | 10.1021/jm00061a006 | Monoamine oxidase | 1 |
Data from ChEMBL 36 via Core Engine