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Compound Detail

CHEMBL4060972

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COc1ncccc1/C=C/c1ccc2ccccc2[n+]1C.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4060972
Phase Preclinical
Structure Type MOL
InChI Key ZPCZJYXMNQIQGK-UHFFFAOYSA-M
Parent Compound CHEMBL4117822
Active Moiety CHEMBL4117822
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

277.4
MW (Da)
3.24
ALogP
2
HBA
0
HBD
26.0
PSA (Ų)
0.69
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 C18H17IN2O
MW 404.25
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.37

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