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Compound Detail

CHEMBL499873

BUTYL ASTERRATE
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CCCCOC(=O)c1c(O)cc(C)cc1Oc1c(OC)cc(O)cc1C(=O)OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL499873
Name BUTYL ASTERRATE
Phase Preclinical
Structure Type MOL
InChI Key AMBZQPZFNBPPTD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

404.4
MW (Da)
3.95
ALogP
8
HBA
2
HBD
111.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H24O8
MW 404.42
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.69

Literature References

PubMed DOI Target Context # Activities
18720971 10.1021/np8003003 Aspergillus fumigatus 1
18720971 10.1021/np8003003 Staphylococcus aureus 1
18720971 10.1021/np8003003 Streptococcus pneumoniae 1
18720971 10.1021/np8003003 Escherichia coli 1

Data from ChEMBL 36 via Core Engine