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Compound Detail

CHEMBL4092791

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COc1ccc(-c2cc(=O)c3ccc4ccccc4c3o2)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4092791
Phase Preclinical
Structure Type MOL
InChI Key OUZLYKMURRNCDN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
4.63
ALogP
4
HBA
0
HBD
48.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16O4
MW 332.36
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness 0.36

Literature References

PubMed DOI Target Context # Activities
28117203 10.1016/j.bmcl.2017.01.020 Carboxylic ester hydrolase 6

Data from ChEMBL 36 via Core Engine