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Compound Detail

CHEMBL2407615

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CNc1ccc(-c2cnc3cc(OCCF)ccc3n2)cc1

Basic Information

ChEMBL ID CHEMBL2407615
Phase Preclinical
Structure Type MOL
InChI Key WSLPTXHXNXRQGK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

297.3
MW (Da)
3.69
ALogP
4
HBA
1
HBD
47.0
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 C17H16FN3O
MW 297.33
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.16

Activity Summary

Ki 1 meas. best 7.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amyloid-beta precursor protein
CHEMBL2487
Ki 7.8 7.8 15.7 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24900717 10.1021/ml4000707 Amyloid-beta precursor protein 1

Data from ChEMBL 36 via Core Engine