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Compound Detail

CHEMBL491346

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COc1ccc(C(=O)c2ccc(CN3CCOCC3)cc2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL491346
Phase Preclinical
Structure Type MOL
InChI Key RUJWYXYXBBDFAY-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
2.77
ALogP
5
HBA
0
HBD
48.0
PSA (Ų)
0.76
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 C20H23NO4
MW 341.41
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.90

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
18396354 10.1016/j.ejmech.2008.02.035 Acetylcholinesterase 1
18396354 10.1016/j.ejmech.2008.02.035 Cholinesterase 1

Data from ChEMBL 36 via Core Engine