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Compound Detail

CHEMBL1774456

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CN(C)c1ccc(-c2cc3cc(OCCOCCOCCF)ccc3o2)cn1

Basic Information

ChEMBL ID CHEMBL1774456
Phase Preclinical
Structure Type MOL
InChI Key UVRONWNNEUZNMO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

388.4
MW (Da)
3.94
ALogP
6
HBA
0
HBD
57.0
PSA (Ų)
0.46
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 C21H25FN2O4
MW 388.44
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.94

Activity Summary

Ki 1 meas. best 9.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 9.02 9.02 0.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 0.95 nM 9.02 Displacement of [125I]IMPY from amyloid beta (1 to 42) after 3 hrs by gamma coun... 21428407

Literature References

PubMed DOI Target Context # Activities
21428407 10.1021/jm200057u Unchecked 1

Data from ChEMBL 36 via Core Engine