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Compound Detail

CHEMBL2042123

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CNc1ccc(-c2nc3ccc(O)cc3s2)c([18F])n1

Basic Information

ChEMBL ID CHEMBL2042123
Phase Preclinical
Structure Type MOL
InChI Key LRVIHTQIPWKSMT-UMSOTBISSA-N
Parent Compound CHEMBL2048306
Active Moiety CHEMBL2048306
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

275.3
MW (Da)
3.24
ALogP
5
HBA
2
HBD
58.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H10FN3OS
MW 274.31
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.33

Activity Summary

Ki 1 meas. best 8.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amyloid-beta precursor protein
CHEMBL2487
Ki 8.64 8.64 2.3 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
22011144 10.1021/jm2009106 Amyloid-beta precursor protein 1

Data from ChEMBL 36 via Core Engine