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Compound Detail

CHEMBL202574

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COc1c(O)c(C(C)=O)c(OCc2cccc(C)c2)c2ccoc12

Basic Information

ChEMBL ID CHEMBL202574
Phase Preclinical
Structure Type MOL
InChI Key OQNXRCFLJJTWFY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

326.4
MW (Da)
4.24
ALogP
5
HBA
1
HBD
68.9
PSA (Ų)
0.71
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 C19H18O5
MW 326.35
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness 0.58

Activity Summary

EC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium voltage-gated channel subfamily A member 3
CHEMBL4818
EC50 6.0 6.0 1000.0 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