Compound Detail
CHEMBL447882
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Basic Information
| ChEMBL ID | CHEMBL447882 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQJXBGMWVQCDJS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
257.4
MW (Da)
3.91
ALogP
2
HBA
1
HBD
35.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL3358 | Ki | 5.82 | 5.82 | 1530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | Ki | = | 1530.0 | nM | 5.82 | Inhibition of MAOA in rat brain mitochondria | 19243954 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19243954 | 10.1016/j.bmc.2009.01.074 | Amine oxidase [flavin-containing] A | 1 |
| 19243954 | 10.1016/j.bmc.2009.01.074 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine