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Compound Detail

CHEMBL1796238

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CN(C)c1ccc(C(=O)c2cc3cc(I)ccc3o2)cc1

Basic Information

ChEMBL ID CHEMBL1796238
Phase Preclinical
Structure Type MOL
InChI Key YCVMWUQCHHXKNN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

391.2
MW (Da)
4.33
ALogP
3
HBA
0
HBD
33.5
PSA (Ų)
0.49
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 C17H14INO2
MW 391.21
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.17

Activity Summary

Ki 1 meas. best 8.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 8.18 8.18 6.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 6.6 nM 8.18 Displacement of [125I]-IMPY from amyloid beta (1 to 42) after 2 hrs by gamma cou... 21622003

Literature References

PubMed DOI Target Context # Activities
21622003 10.1016/j.bmc.2011.04.049 Unchecked 1

Data from ChEMBL 36 via Core Engine