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Compound Detail

CHEMBL397951

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O=C(O)c1cc(/C=C/c2ccc(/C=C/c3ccc(O)c(C(=O)O)c3)c(F)c2)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL397951
Phase Preclinical
Structure Type MOL
InChI Key DZXZHGCGNRRJEG-WMWQKROPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

420.4
MW (Da)
4.97
ALogP
4
HBA
4
HBD
115.1
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H17FO6
MW 420.39
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.03

Activity Summary

Kd 1 meas. best 5.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Kd 5.47 5.47 3400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Kd = 3400.0 nM 5.47 Binding affinity to beta amyloid protein 1-40 by fluorescence titration 17845017

Literature References

PubMed DOI Target Context # Activities
17845017 10.1021/jm070085f Unchecked 1

Data from ChEMBL 36 via Core Engine