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Compound Detail

CHEMBL185692

MACHILIN D
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C/C=C/c1ccc(O[C@@H](C)[C@@H](O)c2ccc(O)c(OC)c2)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL185692
Name MACHILIN D
Phase Preclinical
Structure Type MOL
InChI Key WCFYXOLUODJLKB-QONXFYDISA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

344.4
MW (Da)
3.94
ALogP
5
HBA
2
HBD
68.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H24O5
MW 344.41
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 1.02

Activity Summary

IC50 3 meas. best 5.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasma
CHEMBL613424
 IC50 5.54 5.54 2900.0 1
Cell line
CHEMBL614840
 IC50 5.42 5.42 3800.0 1
RAW264.7
CHEMBL612557
 IC50 4.68 4.68 21100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasma IC50 = 2900.0 nM 5.54 Antioxidant activity assessed as inhibition of LDL oxidation in human plasma 11754613
Cell line IC50 = 3800.0 nM 5.42 Concentration required for inhibition of Cu+2-induced peroxidation in low-densit... 15482936
RAW264.7 IC50 = 21100.0 nM 4.68 Inhibition of LPS-induced NO production in mouse RAW264.7 cells incubated for 24... 31642320

Literature References

PubMed DOI Target Context # Activities
15482936 10.1016/j.bmcl.2004.08.054 Cell line 4
31642320 10.1021/acs.jnatprod.9b00520 RAW264.7 2
11754613 10.1021/np0006061 Plasma 1

Data from ChEMBL 36 via Core Engine