Compound Detail
CHEMBL487213
CIRSILENEOL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL487213 |
| Name | CIRSILENEOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKOSQMWSWLZQPA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
344.3
MW (Da)
2.90
ALogP
7
HBA
2
HBD
98.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL2622 | IC50 | 5.17 | 5.17 | 6760.8 | 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 | = | 6760.83 | nM | 5.17 | Inhibition of rat lens aldose reductase | 18585047 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3379415 | 10.1021/np50056a030 | Xanthine dehydrogenase/oxidase | 1 |
| 18585047 | 10.1016/j.bmc.2008.06.004 | Aldo-keto reductase family 1 member B1 | 1 |
| 31784199 | 10.1016/j.bmc.2019.115180 | A2780 | 1 |
| 31784199 | 10.1016/j.bmc.2019.115180 | A-431 | 1 |
| 31784199 | 10.1016/j.bmc.2019.115180 | HeLa | 1 |
| 31784199 | 10.1016/j.bmc.2019.115180 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine