Compound Detail
CHEMBL516319
BROUSSOFLAVONOL E Enter ChEMBL ID:
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CC(C)=CCc1c(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O)cc(O)c(O)c1CC=C(C)C
Basic Information
| ChEMBL ID | CHEMBL516319 |
| Name | BROUSSOFLAVONOL E |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYNNBNIJZARIJF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
506.6
MW (Da)
6.51
ALogP
7
HBA
5
HBD
131.4
PSA (Ų)
0.18
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.0 | 5.2 | 1000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 1000.0 | nM | 6.0 | Antiplatelet activity against rabbit platelet assessed as inhibition of platelet... | 9358644 |
| NON-PROTEIN TARGET | IC50 | = | 39900.0 | nM | 4.4 | Antiplatelet activity against rabbit platelets assessed as arachidonic acid-indu... | 8864236 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9358644 | 10.1021/np970186o | NON-PROTEIN TARGET | 8 |
| 8864236 | 10.1021/np960376j | NON-PROTEIN TARGET | 5 |
| 9358644 | 10.1021/np970186o | Brain | 1 |
Data from ChEMBL 36 via Core Engine