Compound Detail
CHEMBL504845
ZARAGOZIC ACID B Enter ChEMBL ID:
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C/C=C/CCCC/C=C/CCCCC(=O)O[C@@H]1[C@@H](O)[C@@]2(CCC(C)C(O)C(C)C/C=C/c3ccccc3)O[C@H](C(=O)O)[C@@](O)(C(=O)O)[C@]1(C(=O)O)O2
Basic Information
| ChEMBL ID | CHEMBL504845 |
| Name | ZARAGOZIC ACID B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFZAKIFLDMCTJV-NZHUAJKLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
730.9
MW (Da)
4.88
ALogP
10
HBA
6
HBD
217.3
PSA (Ų)
0.05
QED
2
Ro5 Violations
22
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Squalene synthase CHEMBL3815 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Squalene synthase | IC50 | = | 0.2 | nM | 9.7 | Inhibition of rat liver squalene synthase by liqiud scintillation counting | 8289063 |
| Unchecked | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of bovine Ras FPTase | 8289063 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8289063 | 10.1021/np50101a009 | Unchecked | 1 |
| 8289063 | 10.1021/np50101a009 | Squalene synthase | 1 |
Data from ChEMBL 36 via Core Engine