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Compound Detail

CHEMBL466162

BROUSSOFLAVAN A
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CC(C)=CCc1c([C@@H]2CCc3ccc(O)cc3O2)cc2c(c1O)OC(C)(C)C(O)C2O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL466162
Name BROUSSOFLAVAN A
Phase Preclinical
Structure Type MOL
InChI Key YJRPYTOREHMPPM-HRRASNIPSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

426.5
MW (Da)
4.24
ALogP
6
HBA
4
HBD
99.4
PSA (Ų)
0.55
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 C25H30O6
MW 426.51
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness 2.57

Activity Summary

IC50 2 meas. best 5.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 5.68 4.87 2100.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET IC50 = 2100.0 nM 5.68 Antiplatelet activity against rabbit platelet assessed as inhibition of platelet... 9358644
NON-PROTEIN TARGET IC50 = 86700.0 nM 4.06 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
9358644 10.1021/np970186o NON-PROTEIN TARGET 5
9358644 10.1021/np970186o Brain 1

Data from ChEMBL 36 via Core Engine