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Compound Detail

CHEMBL4163451

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

Basic Information

ChEMBL ID CHEMBL4163451
Phase Preclinical
Structure Type MOL
InChI Key YCOWPKCEXHRGBW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

306.4
MW (Da)
4.94
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H30O3
MW 306.45
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.01

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