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Compound Detail

CHEMBL3919394

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O=c1ccc2c(OCCCCCOc3ccc4ccccc4c3)c3ccoc3cc2o1

Basic Information

ChEMBL ID CHEMBL3919394
Phase Preclinical
Structure Type MOL
InChI Key WCAMWNKYWPVYOC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

414.5
MW (Da)
6.32
ALogP
5
HBA
0
HBD
61.8
PSA (Ų)
0.22
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H22O5
MW 414.46
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness 0.35

Activity Summary

EC50 1 meas. best 7.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium voltage-gated channel subfamily A member 3
CHEMBL4633
EC50 7.75 7.75 18.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Potassium voltage-gated channel subfamily A member 3 EC50 = 18.0 nM 7.75 Inhibition of Kv1.3 (unknown origin) -

Data from ChEMBL 36 via Core Engine