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

CHEMBL272322

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
CN(C)c1ccc(/C=C/c2ccc(-c3nc4ccc(OCCCF)cc4o3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL272322
Phase Preclinical
Structure Type MOL
InChI Key LJBZFLLHKKHBOU-SNAWJCMRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

416.5
MW (Da)
6.47
ALogP
4
HBA
0
HBD
38.5
PSA (Ų)
0.24
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H25FN2O2
MW 416.50
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.03

Activity Summary

Ki 1 meas. best 9.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 9.34 9.34 0.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 0.46 nM 9.34 Displacement of [125I]TZDM from beta amyloid protein 42 18226893

Literature References

PubMed DOI Target Context # Activities
18226893 10.1016/j.bmcl.2007.10.004 Unchecked 1

Data from ChEMBL 36 via Core Engine