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Compound Detail

CHEMBL380723

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COc1c(O)c(C(C)=O)c(OCc2ccccc2-c2ccccc2)c2ccoc12

Basic Information

ChEMBL ID CHEMBL380723
Phase Preclinical
Structure Type MOL
InChI Key ATFFWGCSLVNZPE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

388.4
MW (Da)
5.60
ALogP
5
HBA
1
HBD
68.9
PSA (Ų)
0.44
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H20O5
MW 388.42
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness 0.63

Activity Summary

EC50 1 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium voltage-gated channel subfamily A member 3
CHEMBL4818
EC50 5.7 5.7 2000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16480279 10.1021/jm050839v Potassium voltage-gated channel subfamily A member 3 1

Data from ChEMBL 36 via Core Engine