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Compound Detail

CHEMBL1258462

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CN(C)c1ccc(-c2cc3cc(OCCOCCOCC[18F])ccc3o2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1258462
Phase Preclinical
Structure Type MOL
InChI Key UVRONWNNEUZNMO-KVTPGWOSSA-N
Parent Compound CHEMBL1774456
Active Moiety CHEMBL1774456
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
12
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 387.44
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.94

Activity Summary

Ki 2 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 9.0 8.85 1.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 1.0 nM 9.0 Displacement of [125I]IMPY from amyloid beta (1 to 42) fibrils after 2 hrs by ga... 22690944
Unchecked Ki = 2.0 nM 8.7 Displacement of [125I]IMPY from amyloid beta 1-42 20817524

Literature References

PubMed DOI Target Context # Activities
21428407 10.1021/jm200057u Brain 5
20817524 10.1016/j.bmcl.2010.08.016 Blood 4
20817524 10.1016/j.bmcl.2010.08.016 Brain 4
20817524 10.1016/j.bmcl.2010.08.016 Bone 4
21428407 10.1021/jm200057u Blood 4
21428407 10.1021/jm200057u Bone 4
20817524 10.1016/j.bmcl.2010.08.016 Unchecked 3
22690944 10.1021/jm300251n Brain 3
20817524 10.1016/j.bmcl.2010.08.016 Cortex 1
20817524 10.1016/j.bmcl.2010.08.016 Hippocampus 1
22690944 10.1021/jm300251n No relevant target 1
22690944 10.1021/jm300251n Unchecked 1

Data from ChEMBL 36 via Core Engine