Compound Detail
CHEMBL327302
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C=CC(C)(C)OC(C)(C)C1COc2ccc(/C=C/C(OC)=C(C)\C(=C/OC)C(=O)OC)cc2O1
Basic Information
| ChEMBL ID | CHEMBL327302 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKBKPRBEIXBOIF-VPCMBXRWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
472.6
MW (Da)
5.22
ALogP
7
HBA
0
HBD
72.5
PSA (Ų)
0.15
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| JIYOYE CHEMBL614588 | IC50 | 8.74 | 8.74 | 1.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| JIYOYE | IC50 | = | 1.8 | nM | 8.74 | Cytotoxicity against human Jijoye cells after 5 days by XTT assay | 8926488 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8926488 | 10.1021/np960325m | JIYOYE | 3 |
| 8926488 | 10.1021/np960325m | Bacillus subtilis | 1 |
| 8926488 | 10.1021/np960325m | Candida albicans | 1 |
Data from ChEMBL 36 via Core Engine