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Compound Detail

CHEMBL463019

BROUSSOAURONE A
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CC(C)=CCc1cc2c(cc1O)O/C(=C\c1ccc(O)c(O)c1)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL463019
Name BROUSSOAURONE A
Phase Preclinical
Structure Type MOL
InChI Key NYCBUBKYUALZIH-UWVJOHFNSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

338.4
MW (Da)
3.93
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H18O5
MW 338.36
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 1.23

Activity Summary

IC50 2 meas. best 5.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 5.92 5.365 1200.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET IC50 = 1200.0 nM 5.92 Antiplatelet activity against rabbit platelet assessed as inhibition of platelet... 9358644
NON-PROTEIN TARGET IC50 = 15400.0 nM 4.81 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 5
8864236 10.1021/np960376j Unchecked 1
9358644 10.1021/np970186o NON-PROTEIN TARGET 1
9358644 10.1021/np970186o Brain 1

Data from ChEMBL 36 via Core Engine