Compound Detail
CHEMBL145434
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Basic Information
| ChEMBL ID | CHEMBL145434 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKRBQCLHDJIEFY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
3.56
ALogP
5
HBA
1
HBD
63.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2993 | IC50 | 4.79 | 4.79 | 16400.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL3358 | IC50 | 4.1 | 4.1 | 80000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 16400.0 | nM | 4.79 | In vitro inhibitory activity against rat brain Monoamine oxidase B | 7490728 |
| Amine oxidase [flavin-containing] A | IC50 | = | 80000.0 | nM | 4.1 | In vitro inhibitory activity against rat brain Monoamine oxidase A | 7490728 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7490728 | 10.1021/jm00024a006 | Amine oxidase [flavin-containing] A | 1 |
| 7490728 | 10.1021/jm00024a006 | Amine oxidase [flavin-containing] B | 1 |
| 7490728 | 10.1021/jm00024a006 | Monoamine oxidase | 1 |
Data from ChEMBL 36 via Core Engine