Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3961395

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COc1ccc(OCCCCOc2c3ccoc3cc3oc(=O)ccc23)cc1

Basic Information

ChEMBL ID CHEMBL3961395
Phase Preclinical
Structure Type MOL
InChI Key ZYOVEJGRCLORCP-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

380.4
MW (Da)
4.79
ALogP
6
HBA
0
HBD
71.0
PSA (Ų)
0.32
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20O6
MW 380.40
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness 0.40

Activity Summary

EC50 2 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium voltage-gated channel subfamily A member 3
CHEMBL4633
EC50 8.1 8.1 8.0 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