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Compound Detail

CHEMBL3927855

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O=c1ccc2c(OCCCOc3ccc(Cl)cc3)c3ccoc3cc2o1

Basic Information

ChEMBL ID CHEMBL3927855
Phase Preclinical
Structure Type MOL
InChI Key POFDDBSJPMDKID-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

370.8
MW (Da)
5.04
ALogP
5
HBA
0
HBD
61.8
PSA (Ų)
0.35
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 C20H15ClO5
MW 370.79
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness 0.20

Activity Summary

EC50 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium voltage-gated channel subfamily A member 3
CHEMBL4633
EC50 8.0 8.0 10.0 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 = 10.0 nM 8.0 Inhibition of Kv1.3 (unknown origin) -

Data from ChEMBL 36 via Core Engine