Compound Detail
CHEMBL426457
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Basic Information
| ChEMBL ID | CHEMBL426457 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MIYJTSGMYOKUNW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
268.4
MW (Da)
2.78
ALogP
2
HBA
2
HBD
38.0
PSA (Ų)
0.81
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL3358 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 11000.0 | nM | 4.96 | Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial ... | 15801832 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15801832 | 10.1021/jm0493109 | Amine oxidase [flavin-containing] A | 1 |
Data from ChEMBL 36 via Core Engine