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Compound Detail

CHEMBL1807488

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COc1cc(/C=C2\Oc3cc(O)ccc3C2=O)cc(OC)c1

Basic Information

ChEMBL ID CHEMBL1807488
Phase Preclinical
Structure Type MOL
InChI Key GSVOFGLOXPEEQI-APSNUPSMSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

298.3
MW (Da)
3.03
ALogP
5
HBA
1
HBD
65.0
PSA (Ų)
0.88
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 C17H14O5
MW 298.29
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.23

Activity Summary

IC50 3 meas. best 5.78

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAW264.7
CHEMBL612557
IC50 5.78 4.8933 1670.0 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21723122 10.1016/j.bmcl.2011.05.117 RAW264.7 3

Data from ChEMBL 36 via Core Engine