Compound Detail
CHEMBL280978
ZARAGOZIC ACIDS A Enter ChEMBL ID:
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C=C(CC[C@]12O[C@H](C(=O)O)[C@@](O)(C(=O)O)[C@](C(=O)O)(O1)[C@H](OC(=O)/C=C/[C@@H](C)C[C@@H](C)CC)[C@H]2O)[C@@H](OC(C)=O)[C@H](C)Cc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL280978 |
| Name | ZARAGOZIC ACIDS A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DFKDOZMCHOGOBR-NCSQYGPNSA-N |
6
Targets
13
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
690.7
MW (Da)
2.88
ALogP
11
HBA
5
HBD
223.4
PSA (Ų)
0.09
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 12 meas. best 9.3
EC50 1 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Squalene synthase CHEMBL3815 | IC50 | 9.3 | 8.1171 | 0.5 | 7 |
| Squalene synthase CHEMBL3338 | IC50 | 8.3 | 8.3 | 5.0 | 2 |
| Protein farnesyltransferase CHEMBL2095197 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 7.41 | 7.41 | 39.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| dengue virus type 2 CHEMBL613966 | EC50 | 5.08 | 5.08 | 8300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine