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Compound Detail

CHEMBL4160086

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CCCCOC(=O)c1cc(OC)c(O)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4160086
Phase Preclinical
Structure Type MOL
InChI Key PFYHTIUTNVTILG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

254.3
MW (Da)
2.37
ALogP
5
HBA
1
HBD
65.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H18O5
MW 254.28
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.24

Literature References

PubMed DOI Target Context # Activities
29348811 10.1021/acsmedchemlett.7b00431 Estrogen receptor 3
29348811 10.1021/acsmedchemlett.7b00431 No relevant target 1
29348811 10.1021/acsmedchemlett.7b00431 Staphylococcus aureus 1
29348811 10.1021/acsmedchemlett.7b00431 MCF7 1

Data from ChEMBL 36 via Core Engine