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Compound Detail

CHEMBL3915683

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O=c1ccc2c(OCCCCCOc3ccccc3)c3ccoc3cc2o1

Basic Information

ChEMBL ID CHEMBL3915683
Phase Preclinical
Structure Type MOL
InChI Key DHELRFGMFUIUOF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

364.4
MW (Da)
5.17
ALogP
5
HBA
0
HBD
61.8
PSA (Ų)
0.32
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 C22H20O5
MW 364.40
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness 0.40

Activity Summary

EC50 1 meas. best 7.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium voltage-gated channel subfamily A member 3
CHEMBL4633
EC50 7.82 7.82 15.0 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 = 15.0 nM 7.82 Inhibition of Kv1.3 (unknown origin) -

Data from ChEMBL 36 via Core Engine