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Compound Detail

CHEMBL74704

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

Basic Information

ChEMBL ID CHEMBL74704
Phase Preclinical
Structure Type MOL
InChI Key ZVECSLHUCRIBDY-WMWQKROPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

481.3
MW (Da)
5.60
ALogP
4
HBA
4
HBD
115.1
PSA (Ų)
0.34
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H17BrO6
MW 481.30
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness 0.12

Activity Summary

Ki 1 meas. best 9.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amyloid-beta precursor protein
CHEMBL2487
 Ki 9.96 9.96 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Amyloid-beta precursor protein Ki = 0.11 nM 9.96 Inhibitory activity against binding of [125I]IMSB to amyloid beta in brain 11428920

Literature References

PubMed DOI Target Context # Activities
17284452 10.1074/jbc.m608207200 Unchecked 2
11428920 10.1021/jm010161t Amyloid-beta precursor protein 1

Data from ChEMBL 36 via Core Engine