Compound Detail
CHEMBL1766561
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Basic Information
| ChEMBL ID | CHEMBL1766561 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZIHNBSAQKASXAJ-YRNVUSSQSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
267.3
MW (Da)
2.63
ALogP
4
HBA
2
HBD
72.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 6.32 | 6.32 | 483.9 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 5.84 | 5.84 | 1440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 483.88 | nM | 6.32 | Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5... | 21405131 |
| Amine oxidase [flavin-containing] A | IC50 | = | 1440.0 | nM | 5.84 | Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5... | 21405131 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24169316 | 10.1016/j.bmc.2013.10.004 | Amine oxidase [flavin-containing] B | 2 |
| 21405131 | 10.1021/jm1013709 | Amine oxidase [flavin-containing] B | 1 |
| 21405131 | 10.1021/jm1013709 | Amine oxidase [flavin-containing] A | 1 |
| 21405131 | 10.1021/jm1013709 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine