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Compound Detail

CHEMBL3967563

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COc1ccc(OCCCOc2c3ccoc3cc3oc(=O)ccc23)cc1

Basic Information

ChEMBL ID CHEMBL3967563
Phase Preclinical
Structure Type MOL
InChI Key MPBOIIOUUSODAR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
4.40
ALogP
6
HBA
0
HBD
71.0
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18O6
MW 366.37
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness 0.42

Activity Summary

EC50 1 meas. best 7.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium voltage-gated channel subfamily A member 3
CHEMBL4633
EC50 7.38 7.38 42.0 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 = 42.0 nM 7.38 Inhibition of Kv1.3 (unknown origin) -

Data from ChEMBL 36 via Core Engine