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Compound Detail

CHEMBL258337

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Nc1ccc(/C=C/c2ccc(-c3nc4ccc(OCCCF)cc4o3)cc2)cc1

Basic Information

ChEMBL ID CHEMBL258337
Phase Preclinical
Structure Type MOL
InChI Key MVRFTFQKAPNEGE-NSCUHMNNSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

388.4
MW (Da)
5.99
ALogP
4
HBA
1
HBD
61.3
PSA (Ų)
0.24
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21FN2O2
MW 388.44
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.82

Activity Summary

Ki 1 meas. best 9.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 9.23 9.23 0.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 0.59 nM 9.23 Displacement of [125I]TZDM from beta amyloid protein 42 18226893

Literature References

PubMed DOI Target Context # Activities
18226893 10.1016/j.bmcl.2007.10.004 Unchecked 1

Data from ChEMBL 36 via Core Engine