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Compound Detail

CHEMBL245479

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CN(C)c1ccc(/C=C/c2cc(I)cc(/C=C/c3ccc(N(C)C)cc3)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL245479
Phase Preclinical
Structure Type MOL
InChI Key ZYJOVMLNIIEVIP-KQQUZDAGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

494.4
MW (Da)
6.76
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.28
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H27IN2
MW 494.42
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.42

Literature References

PubMed DOI Target Context # Activities
17270435 10.1016/j.bmcl.2006.10.090 Amyloid-beta precursor protein 1

Data from ChEMBL 36 via Core Engine