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Compound Detail

CHEMBL589416

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COc1cc2occc2c(OCC=C(C)C)c1CCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL589416
Phase Preclinical
Structure Type MOL
InChI Key ASTLBNTZIYCRIB-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

304.3
MW (Da)
3.80
ALogP
4
HBA
1
HBD
68.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20O5
MW 304.34
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 1.39

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19939683 10.1016/j.bmc.2009.10.004 Beta-secretase 1 2

Data from ChEMBL 36 via Core Engine