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Compound Detail

CHEMBL248355

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COc1cc(/C=C/C(=O)O)ccc1N(C)CCN(C)c1ccc(/C=C/C(=O)O)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL248355
Phase Preclinical
Structure Type MOL
InChI Key ZOAUJKRCPBFTQO-MKICQXMISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

440.5
MW (Da)
3.47
ALogP
6
HBA
2
HBD
99.5
PSA (Ų)
0.51
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 C24H28N2O6
MW 440.50
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.14

Activity Summary

Ki 1 meas. best 9.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 9.14 9.14 0.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 0.72 nM 9.14 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