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Compound Detail

CHEMBL452132

FARNESYL CAFFEATE
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CC(C)=CCC/C(C)=C\CC/C(C)=C\COC(=O)/C=C/c1ccc(O)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL452132
Name FARNESYL CAFFEATE
Phase Preclinical
Structure Type MOL
InChI Key OOQZCQKEFKRXLR-UECATJJXSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

384.5
MW (Da)
6.07
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.22
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C24H32O4
MW 384.52
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness 1.64

Activity Summary

EC50 2 meas. best 6.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAW264.7
CHEMBL612557
 EC50 6.59 6.085 258.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAW264.7 EC50 = 258.0 nM 6.59 Inhibition of LPS-induced nitric oxide production in mouse RAW264.7 cells assess... 18667320
RAW264.7 EC50 = 2658.0 nM 5.58 Cytotoxicity against mouse RAW264.7 cells assessed as cell survival after 24 hrs... 18667320

Literature References

PubMed DOI Target Context # Activities
18667320 10.1016/j.bmc.2008.07.006 RAW264.7 3
28257200 10.1021/acs.jnatprod.6b00888 Trypanosoma brucei brucei 1
28257200 10.1021/acs.jnatprod.6b00888 MRC5 1

Data from ChEMBL 36 via Core Engine