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Compound Detail

CHEMBL570610

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CN(C)c1ccc(/C=C/c2ccc(I)cc2)cc1

Basic Information

ChEMBL ID CHEMBL570610
Phase Preclinical
Structure Type MOL
InChI Key RCVUDYJMEJWTNN-ONEGZZNKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

349.2
MW (Da)
4.53
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16IN
MW 349.22
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.86

Activity Summary

Ki 1 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amyloid-beta precursor protein
CHEMBL2487
Ki 8.7 8.7 2.0 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