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Compound Detail

CHEMBL4163077

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CC(=O)c1c[n+](Cc2cccc(Cl)c2)ccc1CC1Cc2cc(F)ccc2C1=O.[Br-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4163077
Phase Preclinical
Structure Type MOL
InChI Key HEXPJVUZJXFYIG-UHFFFAOYSA-M
Parent Compound CHEMBL4301315
Active Moiety CHEMBL4301315
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

408.9
MW (Da)
4.62
ALogP
2
HBA
0
HBD
38.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H20BrClFNO2
MW 488.78
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.39

Literature References

PubMed DOI Target Context # Activities
29324339 10.1016/j.ejmech.2017.12.084 Acetylcholinesterase 2
29324339 10.1016/j.ejmech.2017.12.084 Cholinesterase 1

Data from ChEMBL 36 via Core Engine