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Compound Detail

CHEMBL3940526

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O=c1ccc2c(OCCCCOc3ccc(Cl)cc3)c3ccoc3cc2o1

Basic Information

ChEMBL ID CHEMBL3940526
Phase Preclinical
Structure Type MOL
InChI Key FVZIWWDONGSZLH-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

384.8
MW (Da)
5.43
ALogP
5
HBA
0
HBD
61.8
PSA (Ų)
0.31
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17ClO5
MW 384.82
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness 0.19

Activity Summary

EC50 2 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium voltage-gated channel subfamily A member 3
CHEMBL4633
EC50 8.3 8.3 5.0 1
Potassium voltage-gated channel subfamily A member 5
CHEMBL4306
EC50 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine