Compound Detail
CHEMBL403352
JEZONOCINOL A Enter ChEMBL ID:
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Oc1cc(O)cc([C@@H]2c3c(cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@@H](O)C4)O[C@H]2c2ccc(O)c(O)c2)c1
Basic Information
| ChEMBL ID | CHEMBL403352 |
| Name | JEZONOCINOL A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCIBEYSHPVFKBY-KCPWBINCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
532.5
MW (Da)
3.93
ALogP
10
HBA
8
HBD
180.3
PSA (Ų)
0.18
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.69 | 5.69 | 2030.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 2030.0 | nM | 5.69 | Antioxidant activity assessed as superoxide anion radical scavenging activity | 17907781 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17907781 | 10.1021/np070104o | Radical scavenging activity | 1 |
| 17907781 | 10.1021/np070104o | NON-PROTEIN TARGET | 1 |
| 19646881 | 10.1016/j.bmc.2009.07.016 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine