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Compound Detail

CHEMBL3416640

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CCN(CC)c1ccc(/C=C2\Oc3cc(O)ccc3C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3416640
Phase Preclinical
Structure Type MOL
InChI Key PXAQGRIQPRFKND-WQRHYEAKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

309.4
MW (Da)
3.85
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19NO3
MW 309.37
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.32

Literature References

PubMed DOI Target Context # Activities
25768702 10.1016/j.ejmech.2015.02.055 Acetylcholinesterase 1
25768702 10.1016/j.ejmech.2015.02.055 Cholinesterase 1

Data from ChEMBL 36 via Core Engine