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Compound Detail

CHEMBL5583999

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COc1ccc(-c2coc3cc(O)c(CC=C(C)C)c(O)c3c2=O)c(O)c1

Basic Information

ChEMBL ID CHEMBL5583999
Phase Preclinical
Structure Type MOL
InChI Key STFVTZQCNYBLNE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

368.4
MW (Da)
4.09
ALogP
6
HBA
3
HBD
100.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H20O6
MW 368.39
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness 1.76

Activity Summary

IC50 1 meas. best 5.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage
CHEMBL5314319
IC50 5.33 5.33 4680.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Macrophage IC50 = 4680.0 nM 5.33 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