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Compound Detail

CHEMBL242410

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CN(C)c1ccc(-c2cn3cc(Br)cc(I)c3n2)cc1

Basic Information

ChEMBL ID CHEMBL242410
Phase Preclinical
Structure Type MOL
InChI Key VZUUQWOPUFOXLS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

442.1
MW (Da)
4.43
ALogP
3
HBA
0
HBD
20.5
PSA (Ų)
0.55
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 C15H13BrIN3
MW 442.10
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.60

Activity Summary

Ki 1 meas. best 6.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amyloid-beta precursor protein
CHEMBL2487
Ki 6.74 6.74 183.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17722900 10.1021/jm0702231 Amyloid-beta precursor protein 1

Data from ChEMBL 36 via Core Engine