Compound Detail
CHEMBL518101
BROUSSOCHALCONE TRIACETATE Enter ChEMBL ID:
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CC(=O)Oc1cc(O)c(C(=O)/C=C/c2ccc(OC(C)=O)c(OC(C)=O)c2)cc1CC=C(C)C
Basic Information
| ChEMBL ID | CHEMBL518101 |
| Name | BROUSSOCHALCONE TRIACETATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OSMAHDXNHPCYBB-JXMROGBWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
466.5
MW (Da)
4.57
ALogP
8
HBA
1
HBD
116.2
PSA (Ų)
0.20
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.04 | 4.04 | 91700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 91700.0 | nM | 4.04 | Antiplatelet activity against rabbit platelets assessed as arachidonic acid-indu... | 8864236 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8864236 | 10.1021/np960376j | NON-PROTEIN TARGET | 9 |
Data from ChEMBL 36 via Core Engine