Compound Detail
CHEMBL471479
PERSICARIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL471479 |
| Name | PERSICARIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OBHPUIPWBGHSKF-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1207992 |
| Active Moiety | CHEMBL1207992 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
396.3
MW (Da)
1.77
ALogP
9
HBA
4
HBD
163.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase CHEMBL3649 | IC50 | 4.46 | 4.46 | 34600.0 | 1 |
| Aldo-keto reductase family 1 member B1 CHEMBL4559 | IC50 | 4.16 | 4.16 | 69000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase | IC50 | = | 34600.0 | nM | 4.46 | Inhibition of cow milk xanthine oxidase | 3379415 |
| Aldo-keto reductase family 1 member B1 | IC50 | = | 69000.0 | nM | 4.16 | Inhibition of pig lens aldose reductase by spectrophotometry | 8699190 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3379415 | 10.1021/np50056a030 | Xanthine dehydrogenase/oxidase | 2 |
| 8699190 | 10.1021/np9601622 | Unchecked | 2 |
| 8699190 | 10.1021/np9601622 | Aldo-keto reductase family 1 member B1 | 1 |
Data from ChEMBL 36 via Core Engine