Compound Detail
CHEMBL478591
SCOPARIC ACID A Enter ChEMBL ID:
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C=C1C[C@@H](OC(=O)c2ccccc2)[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)[C@@H]1CC/C(C)=C/CO
Basic Information
| ChEMBL ID | CHEMBL478591 |
| Name | SCOPARIC ACID A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GIQOHSBJFWWSAH-ZYEVQTAUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
440.6
MW (Da)
5.40
ALogP
4
HBA
2
HBD
83.8
PSA (Ų)
0.44
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-glucuronidase CHEMBL4082 | IC50 | 5.17 | 5.17 | 6800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-glucuronidase | IC50 | = | 6800.0 | nM | 5.17 | Inhibition of bovine beta-glucuronidase | 1294695 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1294695 | 10.1021/np50090a005 | Beta-glucuronidase | 3 |
| 24955889 | 10.1021/np500150f | Peroxisome proliferator-activated receptor gamma | 2 |
Data from ChEMBL 36 via Core Engine