Compound Detail
CHEMBL551035
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Basic Information
| ChEMBL ID | CHEMBL551035 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCWXOQKABRAOAZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
445.7
MW (Da)
4.05
ALogP
3
HBA
7
HBD
121.8
PSA (Ų)
0.09
QED
1
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyamine oxidase 1 CHEMBL6108 | Ki | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyamine oxidase 1 | Ki | = | 1.0 | nM | 9.0 | Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method | 19591488 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19591488 | 10.1021/jm900371z | Polyamine oxidase 1 | 1 |
Data from ChEMBL 36 via Core Engine