Compound Detail
CHEMBL206465
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Basic Information
| ChEMBL ID | CHEMBL206465 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEKWAIMSNCODJF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
2.96
ALogP
5
HBA
1
HBD
50.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL3358 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 1.3 | nM | 8.89 | Inhibition of rat liver mitochondria MAOA | 16356714 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16356714 | 10.1016/j.bmcl.2005.11.088 | Amine oxidase [flavin-containing] A | 2 |
| 16356714 | 10.1016/j.bmcl.2005.11.088 | Mus musculus | 2 |
| 16356714 | 10.1016/j.bmcl.2005.11.088 | Amine oxidase [flavin-containing] B | 1 |
| 16356714 | 10.1016/j.bmcl.2005.11.088 | Monoamine oxidase | 1 |
Data from ChEMBL 36 via Core Engine