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Compound Detail

CHEMBL242132

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CN(C)c1ccc(-c2nc3ccc(-c4nc5ccc(F)cc5s4)cc3s2)cc1

Basic Information

ChEMBL ID CHEMBL242132
Phase Preclinical
Structure Type MOL
InChI Key GWQAYDLFVCTDTI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

405.5
MW (Da)
6.45
ALogP
5
HBA
0
HBD
29.0
PSA (Ų)
0.35
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H16FN3S2
MW 405.52
Aromatic Rings 5
Heavy Atoms 28
NP-Likeness -1.74

Activity Summary

Ki 1 meas. best 7.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amyloid-beta precursor protein
CHEMBL2487
Ki 7.64 7.64 23.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17293116 10.1016/j.bmc.2006.11.022 Amyloid-beta precursor protein 1

Data from ChEMBL 36 via Core Engine