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Compound Detail

CHEMBL567614

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Oc1ccc(/C=C/c2cccc(I)c2)cc1

Basic Information

ChEMBL ID CHEMBL567614
Phase Preclinical
Structure Type MOL
InChI Key ASEXKNGMNUFVRL-SNAWJCMRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

322.1
MW (Da)
4.17
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.65
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 C14H11IO
MW 322.14
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.16

Activity Summary

Ki 1 meas. best 7.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amyloid-beta precursor protein
CHEMBL2487
Ki 7.5 7.5 32.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19845387 10.1021/jm901039z Amyloid-beta precursor protein 1

Data from ChEMBL 36 via Core Engine