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

CHEMBL247547

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(/C=C/C(=O)O)ccc1OCCOc1ccc(/C=C/C(=O)O)cc1OC

Basic Information

ChEMBL ID CHEMBL247547
Phase Preclinical
Structure Type MOL
InChI Key NUDBCYUIOUMDIW-NXZHAISVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

414.4
MW (Da)
3.36
ALogP
6
HBA
2
HBD
111.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22O8
MW 414.41
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 0.05

Activity Summary

Ki 1 meas. best 9.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 9.22 9.22 0.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 0.6 nM 9.22 Displacement of [125I]TZDM from human beta amyloid fibril 1-42 17544669

Literature References

PubMed DOI Target Context # Activities
17544669 10.1016/j.bmcl.2007.04.079 Unchecked 1

Data from ChEMBL 36 via Core Engine