Compound Detail
CHEMBL574535
BROUSSONETONE B Enter ChEMBL ID:
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CC1(C)CCC[C@]2(C)[C@@H]1C(=O)[C@H](O)[C@@]13C[C@H](CC[C@@H]21)[C@@](O)(CO)C3
Basic Information
| ChEMBL ID | CHEMBL574535 |
| Name | BROUSSONETONE B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXKOYDRYFOHLGA-DOJQOKQASA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
336.5
MW (Da)
2.29
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.27 | 4.215 | 53900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 53900.0 | nM | 4.27 | Antioxidant activity assessed as superoxide free radical scavenging activity aft... | 18986201 |
| NON-PROTEIN TARGET | IC50 | = | 69650.0 | nM | 4.16 | Antioxidant activity assessed as superoxide free radical scavenging activity aft... | 18986201 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18986201 | 10.1021/np800564z | Tyrosinase | 2 |
| 18986201 | 10.1021/np800564z | NON-PROTEIN TARGET | 2 |
| 18986201 | 10.1021/np800564z | Radical scavenging activity | 1 |
Data from ChEMBL 36 via Core Engine