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Compound Detail

CHEMBL423777

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ON/C(=N\CCC1CCN(Cc2ccccc2)CC1)Nc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL423777
Phase Preclinical
Structure Type MOL
InChI Key NIYYUQBWWHVFAZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

352.5
MW (Da)
3.74
ALogP
3
HBA
3
HBD
59.9
PSA (Ų)
0.42
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 C21H28N4O
MW 352.48
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.66

Literature References

PubMed DOI Target Context # Activities
8126709 10.1021/jm00031a019 Acetylcholinesterase 1

Data from ChEMBL 36 via Core Engine