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Compound Detail

CHEMBL5566184

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COc1cc(-c2coc3cc(O)c(CC=C(C)C)c(O)c3c2=O)c(O)cc1O

Basic Information

ChEMBL ID CHEMBL5566184
Phase Preclinical
Structure Type MOL
InChI Key LVOMAAAYDYWLKU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

384.4
MW (Da)
3.80
ALogP
7
HBA
4
HBD
120.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H20O7
MW 384.38
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 1.97

Activity Summary

IC50 1 meas. best 5.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage
CHEMBL5314319
IC50 5.17 5.17 6720.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Macrophage IC50 = 6720.0 nM 5.17 Anti-inflammatory activity in mouse macrophages extracted from abdominal activit... 37683361

Literature References

PubMed DOI Target Context # Activities
37683361 10.1016/j.ejmech.2023.115791 Macrophage 1

Data from ChEMBL 36 via Core Engine