Compound Detail
CHEMBL487810
AXILLARIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL487810 |
| Name | AXILLARIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIGVXRGRNLQNNI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
346.3
MW (Da)
2.30
ALogP
8
HBA
4
HBD
129.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL2622 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| Xanthine dehydrogenase/oxidase CHEMBL1929 | IC50 | 4.44 | 4.44 | 36000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 | IC50 | = | 27.99 | nM | 7.55 | Inhibition of rat lens aldose reductase | 18585047 |
| Xanthine dehydrogenase/oxidase | IC50 | = | 36000.0 | nM | 4.44 | Inhibition of xanthine oxidase by spectrophotometry | 10425142 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10650074 | 10.1021/np990271r | HL-60 | 2 |
| 3404160 | 10.1021/np50057a038 | NON-PROTEIN TARGET | 1 |
| 10650074 | 10.1021/np990271r | Radical scavenging activity | 1 |
| 10425142 | 10.1021/np990009i | Xanthine dehydrogenase/oxidase | 1 |
| 18585047 | 10.1016/j.bmc.2008.06.004 | Aldo-keto reductase family 1 member B1 | 1 |
Data from ChEMBL 36 via Core Engine