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Compound Detail

CHEMBL4105221

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CN(C)c1ccc(/C=C/c2cc(N3CCN(CCO)CC3)c3ccccc3[n+]2C)cc1.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4105221
Phase Preclinical
Structure Type MOL
InChI Key AVWFTSRIBQXBHJ-UHFFFAOYSA-M
Parent Compound CHEMBL4116072
Active Moiety CHEMBL4116072
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

417.6
MW (Da)
3.02
ALogP
4
HBA
1
HBD
33.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H33IN4O
MW 544.48
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.65

Literature References

PubMed DOI Target Context # Activities
28242549 10.1016/j.ejmech.2017.02.042 No relevant target 2
28242549 10.1016/j.ejmech.2017.02.042 Acetylcholinesterase 2
28242549 10.1016/j.ejmech.2017.02.042 Cholinesterase 2
28242549 10.1016/j.ejmech.2017.02.042 Amyloid-beta precursor protein 1

Data from ChEMBL 36 via Core Engine