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Compound Detail

CHEMBL1667984

EGONOL ACETATE
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COc1cc(CCCOC(C)=O)cc2cc(-c3ccc4c(c3)OCO4)oc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1667984
Name EGONOL ACETATE
Phase Preclinical
Structure Type MOL
InChI Key KOUYRIXNPBTZIN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

368.4
MW (Da)
4.33
ALogP
6
HBA
0
HBD
67.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
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 0.60

Literature References

PubMed DOI Target Context # Activities
21939219 10.1021/np200308j Acetylcholinesterase 4
21251840 10.1016/j.bmc.2010.12.044 Staphylococcus aureus 1
21251840 10.1016/j.bmc.2010.12.044 Bacillus subtilis 1
21251840 10.1016/j.bmc.2010.12.044 Candida albicans 1
21251840 10.1016/j.bmc.2010.12.044 Escherichia coli 1
27765509 10.1016/j.bmcl.2016.10.013 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine