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Compound Detail

CHEMBL448228

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CCCCCOc1cc(O)c2c(=O)c3ccccc3oc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL448228
Phase Preclinical
Structure Type MOL
InChI Key QJFFHBBHPPFTAB-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

298.3
MW (Da)
4.22
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18O4
MW 298.34
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness 0.60

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
18632275 10.1016/j.bmc.2008.06.043 Unchecked 2

Data from ChEMBL 36 via Core Engine