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

CHEMBL3970237

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
COc1cc(OC)cc(OCCCOc2c3ccoc3cc3oc(=O)ccc23)c1

Basic Information

ChEMBL ID CHEMBL3970237
Phase Preclinical
Structure Type MOL
InChI Key ORGLCJFBVZQKHK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

396.4
MW (Da)
4.40
ALogP
7
HBA
0
HBD
80.3
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 C22H20O7
MW 396.40
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness 0.48

Activity Summary

EC50 1 meas. best 7.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium voltage-gated channel subfamily A member 3
CHEMBL4633
EC50 7.12 7.12 75.0 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 = 75.0 nM 7.12 Inhibition of Kv1.3 (unknown origin) -

Data from ChEMBL 36 via Core Engine