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Compound Detail

CHEMBL2048300

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COc1ccc2nc(-c3ccc(NCCF)nc3)oc2c1

Basic Information

ChEMBL ID CHEMBL2048300
Phase Preclinical
Structure Type MOL
InChI Key OWLGAGALTSVSSS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

287.3
MW (Da)
3.28
ALogP
5
HBA
1
HBD
60.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14FN3O2
MW 287.29
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.54

Activity Summary

IC50 1 meas. best 7.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amyloid-beta precursor protein
CHEMBL2487
IC50 7.46 7.46 35.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Amyloid-beta precursor protein IC50 = 35.0 nM 7.46 Displacement of [3H]AZD2184 from human amyloid beta(1 to 40) 22647721

Literature References

PubMed DOI Target Context # Activities
22647721 10.1016/j.bmcl.2012.05.011 Amyloid-beta precursor protein 1

Data from ChEMBL 36 via Core Engine