Compound Detail
CHEMBL577801
BROUSSONETONE C Enter ChEMBL ID:
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CC1(C)OC[C@]2(C[C@]34C[C@@H]2CC[C@H]3[C@]2(C)CCCC(C)(C)[C@H]2C(=O)[C@H]4O)O1
Basic Information
| ChEMBL ID | CHEMBL577801 |
| Name | BROUSSONETONE C |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GPDYNSLXYAITQJ-SKUUYEPTSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
376.5
MW (Da)
4.09
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.36 | 4.31 | 43890.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 43890.0 | nM | 4.36 | Antioxidant activity assessed as superoxide free radical scavenging activity aft... | 18986201 |
| NON-PROTEIN TARGET | IC50 | = | 54830.0 | nM | 4.26 | 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