Compound Detail
CHEMBL502210
ZARAGOZIC ACID D2 Enter ChEMBL ID:
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CCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@]2(CCCC(OC(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 | CHEMBL502210 |
| Name | ZARAGOZIC ACID D2 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDLYATMIWWDJQY-FYSMYQDTSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
706.8
MW (Da)
4.09
ALogP
11
HBA
5
HBD
223.4
PSA (Ų)
0.09
QED
2
Ro5 Violations
21
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Squalene synthase CHEMBL3815 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Squalene synthase | IC50 | = | 2.0 | nM | 8.7 | Inhibition of rat liver squalene synthase by liqiud scintillation counting | 8289063 |
| Unchecked | IC50 | = | 100.0 | nM | 7.0 | 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