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Compound Detail

CHEMBL2326889

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COc1ccc2nc3cc(I)ccc3c(OC)c2c1

Basic Information

ChEMBL ID CHEMBL2326889
Phase Preclinical
Structure Type MOL
InChI Key YTDXPLWVFVEBPQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

365.2
MW (Da)
4.01
ALogP
3
HBA
0
HBD
31.4
PSA (Ų)
0.51
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 C15H12INO2
MW 365.17
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.42

Activity Summary

Ki 1 meas. best 7.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amyloid-beta precursor protein
CHEMBL2487
Ki 7.54 7.54 28.9 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23344363 10.1016/j.ejmech.2012.12.020 Amyloid-beta precursor protein 1

Data from ChEMBL 36 via Core Engine