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Compound Detail

CHEMBL4174452

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CC(=O)C1=CN(Cc2cccc(Cl)c2)C=CC1CC1Cc2cc(F)ccc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4174452
Phase Preclinical
Structure Type MOL
InChI Key JHCQBTJLDRVOEU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

409.9
MW (Da)
5.34
ALogP
3
HBA
0
HBD
37.4
PSA (Ų)
0.67
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21ClFNO2
MW 409.89
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.47

Literature References

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

Data from ChEMBL 36 via Core Engine