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Compound Detail

CHEMBL1667991

EGONOIC ACID
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COc1cc(CCC(=O)O)cc2cc(-c3ccc4c(c3)OCO4)oc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1667991
Name EGONOIC ACID
Phase Preclinical
Structure Type MOL
InChI Key CPAUEIICKFHUBY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

340.3
MW (Da)
3.85
ALogP
5
HBA
1
HBD
78.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H16O6
MW 340.33
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness 0.59

Literature References

PubMed DOI Target Context # Activities
21939219 10.1021/np200308j Acetylcholinesterase 3
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

Data from ChEMBL 36 via Core Engine