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Compound Detail

CHEMBL4166279

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COc1ccc(CCOC(=O)CCc2ccccc2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4166279
Phase Preclinical
Structure Type MOL
InChI Key SLCCHRIPLCNYEF-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
3.42
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22O4
MW 314.38
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.01

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
28759879 10.1016/j.ejmech.2017.07.026 Unchecked 2
28759879 10.1016/j.ejmech.2017.07.026 No relevant target 2
28759879 10.1016/j.ejmech.2017.07.026 Amyloid-beta precursor protein 1

Data from ChEMBL 36 via Core Engine