Compound Detail
CHEMBL144555
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Basic Information
| ChEMBL ID | CHEMBL144555 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEUUXPKQEVMAEC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
228.2
MW (Da)
2.99
ALogP
3
HBA
0
HBD
27.7
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 6.29 | 6.29 | 513.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2993 | IC50 | 5.62 | 5.62 | 2398.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 513.0 | nM | 6.29 | Inhibition of human recombinant MAOB using kynuramine substrate assessed as redu... | 25857942 |
| Amine oxidase [flavin-containing] B | IC50 | = | 2398.83 | nM | 5.62 | Inhibitory effect on Monoamine oxidase B, SD on IC50 values < 10% | 11123983 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11123983 | 10.1021/jm001028o | Amine oxidase [flavin-containing] A | 1 |
| 11123983 | 10.1021/jm001028o | Amine oxidase [flavin-containing] B | 1 |
| 25857942 | 10.1016/j.bmcl.2015.03.040 | Amine oxidase [flavin-containing] B | 1 |
| 25857942 | 10.1016/j.bmcl.2015.03.040 | Amine oxidase [flavin-containing] A | 1 |
| 25857942 | 10.1016/j.bmcl.2015.03.040 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine