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Compound Detail

CHEMBL2270959

N-BUTYLEUGENOL
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C=CCc1ccc(OCCCC)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2270959
Name N-BUTYLEUGENOL
Phase Preclinical
Structure Type MOL
InChI Key UHKLUPWESCIICB-UHFFFAOYSA-N
0
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

220.3
MW (Da)
3.60
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H20O2
MW 220.31
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.13

Activity Summary

EC50 2 meas.
IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
20225858 10.1021/jf9045123 Trichoplusia ni 4
28826085 10.1016/j.ejmech.2017.08.030 Peritoneal macrophage 3
28826085 10.1016/j.ejmech.2017.08.030 Leishmania donovani 2
28826085 10.1016/j.ejmech.2017.08.030 ADMET 2
28826085 10.1016/j.ejmech.2017.08.030 RAW264.7 1

Data from ChEMBL 36 via Core Engine